Laboratory of Computational Medicine

Publications

Select a year : 2025 – 2024 – 2023 – 2022 – 2021 – 2020 – 2019 – 2018 – 2017 – 2016 – 2015 – 2014 – 2013 – 2012 – 2011 – 2010 – 2009 – 2008 – 2007 – 2006 – 2005 – 2004 – 2003 – 2002 – 2001 – 2000 – 1999 – 1998 – 1997 – All Years

2025

Matsoukas, MT. Ciruela-Jardí, M. Gallo, M. Ferre, S. Andreu, D. Casadó, V. Pardo, L. Moreno, E.
“Design of Small Non-Peptidic Ligands That Alter Heteromerization between Cannabinoid CB(1) and Serotonin 5HT(2A) Receptors.”
J Med Chem 68(1) 261–269

Evans AH, Ciruela-Jardí M, Rea W, Keegan BM, Levinstein MR, Bonifazi A, Cao J, Jackson SN, Shi L, Casajuana-Martin N, Cai NS, Casadó V, Earley CJ, Newman AH, Michaelides M, Pardo L, Moreno E, Ferré S
“Locomotor activity depends on β-arrestin recruitment by the dopamine D1 receptor in the striatal D1-D3 receptor heteromer”
Pharmacol Res. 218(0) 107826–

Sanchez WN, Moreno E, Ciruela-Jardí M, Casajuana-Martín N, Yauch A, Cai NS, Quiroz C, Chang YG, Casadó V, Pardo L, Plant LD, Ferré S
“Distinctive biochemical properties of the μ-opioid receptor-corticotropin- releasing factor CRF1 receptor heterotetramer.”
Pharmacol Res. 219(0) 107904–

Levinstein MR, De Oliveira PA, Casajuana-Martin N, Quiroz C, Budinich RC, Rais R, Rea W, Ventriglia EN, Llopart N, Casadó-Anguera V, Moreno E, Walther D, Glatfelter GC, Weinshenker D, Zarate CA Jr, Casadó V, Baumann MH, Pardo L, Ferré S, Michaelides M.
“Reply to “Letter to the Editor regarding ‘Unique pharmacodynamic properties and low abuse liability of the μ-opioid receptor ligand (S)-methadone’”
Mol Psychiatry. 30(0) 1708–1709

Ferré S, Ciruela F, Pardo L.
“Functional significance of opioid receptor homomers and heteromers.”
Nat Commun. 16(0) 9857–

Llinas Del Torrent C, Raïch I, Gonzalez A, Lillo J, Casajuana-Martin N, Franco R, Pardo L, Navarro G.
“Allosterism in the adenosine A2A and cannabinoid CB2 heteromer.”
Br J Pharmacol. 182(0) 3371–3384

Quintana-Garcia A, Raïch I, Del Llinas Del Torrent C, Lillo J, Casajuana- Martin N, Rebassa JB, Navarro G, Pardo L.
“Metadynamics simulations and site- directed mutagenesis determine the binding of cannabidiol to the adenosine A2A receptor.”
Protein Sci. 34(0) e70394–

2024

Navarro, G. Gómez-Autet, M. Morales, P. Rebassa, JB. Llinas, Del, Torrent, C. Jagerovic, N. Pardo, L. Franco, R.
“Homodimerization of CB(2) cannabinoid receptor triggered by a bivalent ligand enhances cellular signaling.”
Pharmacol Res 208(0) 107363–

Liu, A. Liu, Y. Llinàs, Del, Torrent, Masachs, C. Zhang, W. Pardo, L. Ye, RD.
“Structural insights into KSHV-GPCR constitutive activation and CXCL1 chemokine recognition.”
Proc Natl Acad Sci U S A 121(42) e24032–

de, March, CA. Ma, N. Billesbølle, CB. Tewari, J. Llinas, Del, Torrent, C. van, der, Velden, WJC. Ojiro, I. Takayama, I. Faust, B. Li, L. Vaidehi, N. Manglik, A. Matsunami, H.
“Engineered odorant receptors illuminate the basis of odour discrimination.”
Nature 635(8038) 499–508

Levinstein, MR. De, Oliveira, PA. Casajuana-Martin, N. Quiroz, C. Budinich, RC. Rais, R. Rea, W. Ventriglia, EN. Llopart, N. Casadó-Anguera, V. Moreno, E. Walther, D. Glatfelter, GC. Weinshenker, D. Zarate, CA, Jr Casadó, V
“Unique pharmacodynamic properties and low abuse liability of the µ-opioid receptor ligand (S)-methadone.”
Mol Psychiatry 29(3) 624–632

2023

Valle-León, M. Casajuana-Martin, N. Del, Torrent, CL. Argerich, J. Gómez-Acero, L. Sahlholm, K. Ferré, S. Pardo, L. Ciruela, F.
“Unique effect of clozapine on adenosine A(2A)-dopamine D(2) receptor heteromerization.”
Biomed Pharmacother 160(0) 114327–

Billesbølle, CB. de, March, CA. van, der, Velden, WJC. Ma, N. Tewari, J. Del, Torrent, CL. Li, L. Faust, B. Vaidehi, N. Matsunami, H. Manglik, A.
“Structural basis of odorant recognition by a human odorant receptor.”
Nature 615(7953) 742–749

Ferré, S. Pardo, L. Ciruela, F.
“Clues from a missense mutation of the adenosine A(1) receptor gene associated with early-onset Parkinson’s disease.”
Neural Regen Res 18(10) 2204–2205

Llinas, Del, Torrent, C. Raïch, I. Gonzalez, A. Casajuana-Martin, N. Lillo, J. Rebassa, JB. Ferreiro-Vera, C. Sánchez, de, Medina, V. Franco, R. Navarro, G. Pardo, L.
“The Leu/Val(6.51) Side Chain of Cannabinoid Receptors Regulates the Binding Mode of the Alkyl Chain of Δ(9)-Tetrahydrocannabinol.”
J Chem Inf Model 63(18) 5927–5935

2022

Pulido, D. Casadó-Anguera, V. Gómez-Autet, M. Llopart, N. Moreno, E. Casajuana-Martin, N. Ferré, S. Pardo, L. Casadó, V. Royo, M.
“Heterobivalent Ligand for the Adenosine A(2A)-Dopamine D(2) Receptor Heteromer.”
J Med Chem 65(1) 616–632

De, Oliveira, PA. Moreno, E. Casajuana-Martin, N. Casadó-Anguera, V. Cai, NS. Camacho-Hernandez, GA. Zhu, H. Bonifazi, A. Hall, MD. Weinshenker, D. Newman, AH. Logothetis, DE. Casadó, V. Plant, LD. Pardo, L. Ferré, S.
“Preferential Gs protein coupling of the galanin Gal(1) receptor in the µ-opioid-Gal(1) receptor heterotetramer.”
Pharmacol Res 182(0) 106322–

Moreno, E. Casajuana-Martin, N. Coyle, M. Campos, BC. Galaj, E. Del, Torrent, CL. Seyedian, A. Rea, W. Cai, NS. Bonifazi, A. Florán, B. Xi, ZX. Guitart, X. Casadó, V. Newman, AH. Bishop, C. Pardo, L. Ferré, S.
“Pharmacological targeting of G protein-coupled receptor heteromers.”
Pharmacol Res 185(0) 106476–

Casajuana-Martin, N. Navarro, G. Gonzalez, A. Llinas, Del, Torrent, C. Gómez-Autet, M. Quintana, García, A. Franco, R. Pardo, L.
“A Single Point Mutation Blocks the Entrance of Ligands to the Cannabinoid CB(2) Receptor via the Lipid Bilayer.”
J Chem Inf Model 62(22) 5771–5779

Sarasola, LI. Del, Torrent, CL. Pérez-Arévalo, A. Argerich, J. Casajuana-Martín, N. Chevigné, A. Fernández-Dueñas, V. Ferré, S. Pardo, L. Ciruela, F.
“The ADORA1 mutation linked to early-onset Parkinson’s disease alters adenosine A(1)-A(2A) receptor heteromer formation and function.”
Biomed Pharmacother 156(0) 113896–

Cierco, Jimenez, R. Lee, T. Rosillo, N. Cordova, R. Cree, IA. Gonzalez, A. Indave, Ruiz, BI.
“Machine learning computational tools to assist the performance of systematic reviews: A mapping review.”
BMC Med Res Methodol 22(1) 322–

Gonzalez, A. Belmonte, I. Nuñez, A. Farago, G. Barrecheguren, M. Pons, M. Orriols, G. Gabriel-Medina, P. Rodríguez-Frías, F. Miravitlles, M. Esquinas, C.
“New variants of alpha-1-antitrypsin: structural simulations and clinical expression.”
Respir Res 23(1) 339–

Ferré, S. Ciruela, F. Dessauer, CW. González-Maeso, J. Hébert, TE. Jockers, R. Logothetis, DE. Pardo, L.
“G protein-coupled receptor-effector macromolecular membrane assemblies (GEMMAs).”
Pharmacol Ther 231(0) 107977–

2021

Casanovas, M. Jiménez-Rosés, M. Cordomí, A. Lillo, A. Vega-Quiroga, I. Izquierdo, J. Medrano, M. Gysling, K. Pardo, L. Navarro, G. Franco, R.
“Discovery of a macromolecular complex mediating the hunger suppressive actions of cocaine: Structural and functional properties.”
Addict Biol 26(5) e13017–

Franco, R. Cordomí, A. Llinas, Del, Torrent, C. Lillo, A. Serrano-Marín, J. Navarro, G. Pardo, L.
“Structure and function of adenosine receptor heteromers.”
Cell Mol Life Sci 78(8) 3957–3968

Jimenez, RC. Casajuana-Martin, N. García-Recio, A. Alcántara, L. Pardo, L. Campillo, M. Gonzalez, A.
“The mutational landscape of human olfactory G protein-coupled receptors.”
BMC Biol 19(1) 21–

Santos-Gómez, A. Miguez-Cabello, F. García-Recio, A. Locubiche-Serra, S. García-Díaz, R. Soto-Insuga, V. Guerrero-López, R. Juliá-Palacios, N. Ciruela, F. García-Cazorla, À Soto, D. Olivella, M. Altafaj, X.
“Disease-associated GRIN protein truncating variants trigger NMDA receptor loss-of-function.”
Hum Mol Genet 29(24) 3859–3871

García-Recio, A. Santos-Gómez, A. Soto, D. Julia-Palacios, N. García-Cazorla, À Altafaj, X. Olivella, M.
“GRIN database: A unified and manually curated repertoire of GRIN variants.”
Hum Mutat 42(1) 8–18

Garcia-Recio, A. Gómez-Tamayo, JC. Reina, I. Campillo, M. Cordomí, A. Olivella, M.
“TMSNP: a web server to predict pathogenesis of missense mutations in the transmembrane region of membrane proteins.”
NAR Genom Bioinform 3(1) lqab00–

Gallo, M. Moreno, E. Defaus, S. Ortega-Alvaro, A. Gonzalez, A. Robledo, P. Cavaco, M. Neves, V. Castanho, MARB. Casadó, V. Pardo, L. Maldonado, R. Andreu, D.
“Orally Active Peptide Vector Allows Using Cannabis to Fight Pain While Avoiding Side Effects.”
J Med Chem 64(10) 6937–6948

Navarro, G. Gonzalez, A. Sánchez-Morales, A. Casajuana-Martin, N. Gómez-Ventura, M. Cordomí, A. Busqué, F. Alibés, R. Pardo, L. Franco, R.
“Design of Negative and Positive Allosteric Modulators of the Cannabinoid CB(2) Receptor Derived from the Natural Product Cannabidiol.”
J Med Chem 64(13) 9354–9364

2020

Ferre, S. Ciruela, F. Casado, V. Pardo, L.
“Oligomerization of G protein-coupled receptors: Still doubted?”
Prog Mol Biol Transl Sci 169(0) 297–321

Kofalvi, A. Moreno, E. Cordomi, A. Cai, NS. Fernandez-Duenas, V. Ferreira, SG. Guixa-Gonzalez, R. Sanchez-Soto, M. Yano, H. Casado-Anguera, V. Cunha, RA. Sebastiao, AM. Ciruela, F. Pardo, L. Casado, V. Ferre, S.
“Control of glutamate release by complexes of adenosine and cannabinoid receptors.”
BMC Biol 18(1) 9–

Reubi, JC. Fourmy, D. Cordomi, A. Tikhonova, IG. Gigoux, V.
“GIP receptor: Expression in neuroendocrine tumours, internalization, signalling from endosomes and structure-function relationship studies.”
Peptides 125(0) 170229–

Zachmann, J. Kritsi, E. Tapeinou, A. Zoumpoulakis, P. Tselios, T. Matsoukas, MT.
“Combined Computational and Structural Approach into Understanding the Role of Peptide Binding and Activation of Melanocortin Receptor 4.”
J Chem Inf Model 60(3) 1461–1468

Gnad, T. Navarro, G. Lahesmaa, M. Reverte-Salisa, L. Copperi, F. Cordomi, A. Naumann, J. Hochhäuser, A. Haufs-Brusberg, S. Wenzel, D. Suhr, F. Jespersen, NZ. Scheele, C. Tsvilovskyy, V. Brinkmann, C. Rittweger, J. Dani, C.
“Adenosine/A2B Receptor Signaling Ameliorates the Effects of Aging and Counteracts Obesity.”
Cell Metab 32(1) 56–70.e7

Rodríguez-Espigares, I. Torrens-Fontanals, M. Tiemann, JKS. Aranda-García, D. Ramírez-Anguita, JM. Stepniewski, TM. Worp, N. Varela-Rial, A. Morales-Pastor, A. Medel-Lacruz, B. Pándy-Szekeres, G. Mayol, E. Giorgino, T. Carlss
“GPCRmd uncovers the dynamics of the 3D-GPCRome.”
Nat Methods 17(8) 777–787

García-Recio, A. Navarro, G. Franco, R. Olivella, M. Guixà-González, R. Cordomí, A.
“DIMERBOW: exploring possible GPCR dimer interfaces.”
Bioinformatics 36(10) 3271–3272

Mayol, E. García-Recio, A. Tiemann, JKS. Hildebrand, PW. Guixà-González, R. Olivella, M. Cordomí, A.
“HomolWat: a web server tool to incorporate ‘homologous’ water molecules into GPCR structures.”
Nucleic Acids Res 48(0) W54–W59

Pérez-Benito, L. Llinas, Del, Torrent, C. Pardo, L. Tresadern, G.
“The computational modeling of allosteric modulation of metabotropic glutamate receptors.”
Adv Pharmacol 88(0) 1–33

Navarro, G. Gonzalez, A. Campanacci, S. Rivas-Santisteban, R. Reyes-Resina, I. Casajuana-Martin, N. Cordomí, A. Pardo, L. Franco, R.
“Experimental and computational analysis of biased agonism on full-length and a C-terminally truncated adenosine A(2A) receptor.”
Comput Struct Biotechnol J 18(0) 2723–2732

Guinart, D. Moreno, E. Galindo, L. Cuenca-Royo, A. Barrera-Conde, M. Pérez, EJ. Fernández-Avilés, C. Correll, CU. Canela, EI. Casadó, V. Cordomi, A. Pardo, L. de, la, Torre, R. Pérez, V. Robledo, P.
“Altered Signaling in CB1R-5-HT2AR Heteromers in Olfactory Neuroepithelium Cells of Schizophrenia Patients is Modulated by Cannabis Use.”
Schizophr Bull 46(6) 1547–1557

Morales, P. Navarro, G. Gómez-Autet, M. Redondo, L. Fernández-Ruiz, J. Pérez-Benito, L. Cordomí, A. Pardo, L. Franco, R. Jagerovic, N.
“Discovery of Homobivalent Bitopic Ligands of the Cannabinoid CB(2) Receptor*.”
Chemistry 26(68) 15839–15842

2019

Aguinaga, D. Medrano, M. Cordomi, A. Jimenez-Roses, M. Angelats, E. Casanovas, M. Vega-Quiroga, I. Canela, EI. Petrovic, M. Gysling, K. Pardo, L. Franco, R. Navarro, G.
“Cocaine Blocks Effects of Hunger Hormone, Ghrelin, Via Interaction with Neuronal Sigma-1 Receptors.”
Mol Neurobiol 56(2) 1196–1210

Perez-Benito, L. Casajuana-Martin, N. Jimenez-Roses, M. van, Vlijmen, H. Tresadern, G.
“Predicting Activity Cliffs with Free-Energy Perturbation.”
J Chem Theory Comput 15(3) 1884–1895

Llinas, Del, Torrent, C. Perez-Benito, L. Tresadern, G.
“Computational Drug Design Applied to the Study of Metabotropic Glutamate Receptors.”
Molecules 24(6) 1098–

Cid, JM. Lavreysen, H. Tresadern, G. Perez-Benito, L. Tovar, F. Fontana, A. Trabanco, AA.
“Computationally Guided Identification of Allosteric Agonists of the Metabotropic Glutamate 7 Receptor.”
ACS Chem Neurosci 10(3) 1043–1054

Doornbos, MLJ. Wang, X. Vermond, SC. Peeters, L. Perez-Benito, L. Trabanco, AA. Lavreysen, H. Cid, JM. Heitman, LH. Tresadern, G. IJzerman, AP.
“Covalent Allosteric Probe for the Metabotropic Glutamate Receptor 2: Design, Synthesis, and Pharmacological Characterization.”
J Med Chem 62(1) 223–233

Sanchez-Melgar, A. Albasanz, JL. Guixa-Gonzalez, R. Saleh, N. Selent, J. Martin, M.
“The antioxidant resveratrol acts as a non-selective adenosine receptor agonist.”
Free Radic Biol Med 135(0) 261–273

Llinas, Del, Torrent, C. Casajuana-Martin, N. Pardo, L. Tresadern, G. Perez-Benito, L.
“Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5.”
J Chem Inf Model 59(5) 2456–2466

Torrecillas, IR. Conde-Ceide, S. de, Lucas, AI. Garci, A, Molina, A. Trabanco, AA. Lavreysen, H. Pardo, L. Tresadern, G.
“Inhibition of the Alanine-Serine-Cysteine-1 Transporter by BMS-466442.”
ACS Chem Neurosci 10(5) 2510–2517

Ghosh, E. Dwivedi, H. Baidya, M. Srivastava, A. Kumari, P. Stepniewski, T. Kim, HR. Lee, MH. van, Gastel, J. Chaturvedi, M. Roy, D. Pandey, S. Maharana, J. Guixa-Gonzalez, R. Luttrell, LM. Chung, KY. Dutta, S. Selent, J.
“Conformational Sensors and Domain Swapping Reveal Structural and Functional Differences between beta-Arrestin Isoforms.”
Cell Rep 28(13) 3287–3299.e

Javanainen, M. Enkavi, G. Guixa-Gonzalez, R. Kulig, W. Martinez-Seara, H. Levental, I. Vattulainen, I.
“Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions.”
PLoS Comput Biol 15(5) e10070–

Srinivasan, S. Guixa-Gonzalez, R. Cordomi, A. Garriga, P.
“Ligand Binding Mechanisms in Human Cone Visual Pigments.”
Trends Biochem Sci 44(7) 629–639

Marin-Ramos, NI. Balabasquer, M. Ortega-Nogales, FJ. Torrecillas, IR. Gil-Ordonez, A. Marcos-Ramiro, B. Aguilar-Garrido, P. Cushman, I. Romero, A. Medrano, FJ. Gajate, C. Mollinedo, F. Philips, MR. Campillo, M. Gallardo, M. M
“A Potent Isoprenylcysteine Carboxylmethyltransferase (ICMT) Inhibitor Improves Survival in Ras-Driven Acute Myeloid Leukemia.”
J Med Chem 62(13) 6035–6046

Mayol, E. Campillo, M. Cordomi, A. Olivella, M.
“Inter-residue interactions in alpha-helical transmembrane proteins.”
Bioinformatics 35(15) 2578–2584

Jimenez-Luna, J. Perez-Benito, L. Martinez-Rosell, G. Sciabola, S. Torella, R. Tresadern, G. De, Fabritiis, G.
“DeltaDelta neural networks for lead optimization of small molecule potency.”
Chem Sci 10(47) 10911–10918

2018

Izquierdo, C. Gomez-Tamayo, JC. Nebel, JC. Pardo, L. Gonzalez, A.
“Identifying human diamine sensors for death related putrescine and cadaverine molecules.”
PLoS Comput Biol 14(1) e10059–

Navarro, G. Cordomi, A. Brugarolas, M. Moreno, E. Aguinaga, D. Perez-Benito, L. Ferre, S. Cortes, A. Casado, V. Mallol, J. Canela, EI. Lluis, C. Pardo, L. McCormick, PJ. Franco, R.
“Cross-communication between Gi and Gs in a G-protein-coupled receptor heterotetramer guided by a receptor C-terminal domain.”
BMC Biol 16(1) 24–

Navarro, G. Cordomi, A. Casado-Anguera, V. Moreno, E. Cai, NS. Cortes, A. Canela, EI. Dessauer, CW. Casado, V. Pardo, L. Lluis, C. Ferre, S.
“Evidence for functional pre-coupled complexes of receptor heteromers and adenylyl cyclase.”
Nat Commun 9(1) 1242–

Srinivasan, S. Fernandez-Sampedro, MA. Morillo, M. Ramon, E. Jimenez-Roses, M. Cordomi, A. Garriga, P.
“Human Blue Cone Opsin Regeneration Involves Secondary Retinal Binding with Analog Specificity.”
Biophys J 114(6) 1285–1294

Jimenez-Roses, M. Matsoukas, MT. Caltabiano, G. Cordomi, A.
“Ligand-Triggered Structural Changes in the M2 Muscarinic Acetylcholine Receptor.”
J Chem Inf Model 58(5) 1074–1082

Ferre, S. Bonaventura, J. Zhu, W. Hatcher-Solis, C. Taura, J. Quiroz, C. Cai, NS. Moreno, E. Casado-Anguera, V. Kravitz, AV. Thompson, KR. Tomasi, DG. Navarro, G. Cordomi, A. Pardo, L. Lluis, C. Dessauer, CW. Volkow, ND.
“Essential Control of the Function of the Striatopallidal Neuron by Pre-coupled Complexes of Adenosine A2A-Dopamine D2 Receptor Heterotetramers and Adenylyl Cyclase.”
Front Pharmacol 9(0) 243–

Pulido, D. Casado-Anguera, V. Perez-Benito, L. Moreno, E. Cordomi, A. Lopez, L. Cortes, A. Ferre, S. Pardo, L. Casado, V. Royo, M.
“Design of a True Bivalent Ligand with Picomolar Binding Affinity for a G Protein-Coupled Receptor Homodimer.”
J Med Chem 61(20) 9335–9346

Perez-Benito, L. Henry, A. Matsoukas, MT. Lopez, L. Pulido, D. Royo, M. Cordomi, A. Tresadern, G. Pardo, L.
“The size matters? A computational tool to design bivalent ligands.”
Bioinformatics 34(22) 3857–3863

Gomez, Tamayo, JC. Olivella, M. Rios, S. Hoogstraat, M. Gonzalez, A. Mayol, E. Deupi, X. Campillo, M. Cordomi, A.
“GPCR-SAS: A web application for statistical analyses on G protein-coupled receptors sequences.”
PLoS One 13(7) e01998–

2017

Gonzalez-Vera, JA. Medina, RA. Martin-Fontecha, M. Gonzalez, A. de, la, Fuente, T. Vazquez-Villa, H. Garcia-Carceles, J. Botta, J. McCormick, PJ. Benhamu, B. Pardo, L. Lopez-Rodriguez, ML.
“A new serotonin 5-HT6 receptor antagonist with procognitive activity – Importance of a halogen bond interaction to stabilize the binding.”
Sci Rep 7(0) 41293–

Marin-Ramos, NI. Pinar, C. Vazquez-Villa, H. Martin-Fontecha, M. Gonzalez, A. Canales, A. Algar, S. Mayo, PP. Jimenez-Barbero, J. Gajate, C. Mollinedo, F. Pardo, L. Ortega-Gutierrez, S. Viso, A. Lopez-Rodriguez, ML.
“Development of a Nucleotide Exchange Inhibitor That Impairs Ras Oncogenic Signaling.”
Chemistry 23(7) 1676–1685

Troupiotis-Tsailaki, A. Zachmann, J. Gonzalez-Gil, I. Gonzalez, A. Ortega-Gutierrez, S. Lopez-Rodriguez, ML. Pardo, L. Govaerts, C.
“Ligand chain length drives activation of lipid G protein-coupled receptors.”
Sci Rep 7(1) 2020–

Keranen, H. Perez-Benito, L. Ciordia, M. Delgado, F. Steinbrecher, TB. Oehlrich, D. van, Vlijmen, HW. Trabanco, AA. Tresadern, G.
“Acylguanidine Beta Secretase 1 Inhibitors: A Combined Experimental and Free Energy Perturbation Study.”
J Chem Theory Comput 13(3) 1439–1453

Perez-Benito, L. Doornbos, MLJ. Cordomi, A. Peeters, L. Lavreysen, H. Pardo, L. Tresadern, G.
“Molecular Switches of Allosteric Modulation of the Metabotropic Glutamate 2 Receptor.”
Structure 25(7) 1153–1162

Garcia, M. Gonzalez, de, Buitrago, J. Jimenez-Roses, M. Pardo, L. Hinkle, PM. Moreno, JC.
“Central hypothyroidism due to a TRHR mutation causing impaired ligand affinity and transactivation of Gq.”
J Clin Endocrinol Metab 102(7) 2433–2442

Marsango, S. Caltabiano, G. Jimenez-Roses, M. Millan, MJ. Pediani, JD. Ward, RJ. Milligan, G.
“A Molecular Basis for Selective Antagonist Destabilization of Dopamine D3 Receptor Quaternary Organization.”
Sci Rep 7(1) 2134–

Cordomi, A. Liapakis, G. Matsoukas, MT.
“Understanding Corticotropin Releasing Factor Receptor (CRFR) Activation Using Structural Models.”
Curr Mol Pharmacol 10(4) 325–333

2016

Stanley, N. Pardo, L. Fabritiis, GD.
“The pathway of ligand entry from the membrane bilayer to a lipid G protein-coupled receptor.”
Sci Rep 6(0) 22639–

Doornbos, ML. Perez-Benito, L. Tresadern, G. Mulder-Krieger, T. Biesmans, I. Trabanco, AA. Cid, JM. Lavreysen, H. IJzerman, AP. Heitman, LH.
“Molecular mechanism of positive allosteric modulation of the metabotropic glutamate receptor 2 by JNJ-46281222.”
Br J Pharmacol 173(3) 588–600

Srinivasan, S. Cordomi, A. Ramon, E. Garriga, P.
“Beyond spectral tuning: human cone visual pigments adopt different transient conformations for chromophore regeneration.”
Cell Mol Life Sci 73(6) 1253–63

Navarro, G. Cordomi, A. Zelman-Femiak, M. Brugarolas, M. Moreno, E. Aguinaga, D. Perez-Benito, L. Cortes, A. Casado, V. Mallol, J. Canela, EI. Lluis, C. Pardo, L. Garcia-Saez, AJ. McCormick, PJ. Franco, R.
“Quaternary structure of a G-protein-coupled receptor heterotetramer in complex with Gi and Gs.”
BMC Biol 14(1) 26–

Gomez-Tamayo, JC. Cordomi, A. Olivella, M. Mayol, E. Fourmy, D. Pardo, L.
“Analysis of the interactions of sulfur-containing amino acids in membrane proteins.”
Protein Sci 25(8) 1517–24

Cid, JM. Tresadern, G. Vega, JA. de, Lucas, AI. Del, Cerro, A. Matesanz, E. Linares, ML. Garcia, A. Iturrino, L. Perez-Benito, L. Macdonald, GJ. Oehlrich, D. Lavreysen, H. Peeters, L. Ceusters, M. Ahnaou, A. Drinkenburg, W.
“Discovery of 8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)me thyl]-1,2,4-triazolo[4,3-a]pyridine (JNJ-46356479), a Selective and Orally Bioavailable mGlu2 Receptor Positive Allosteric Modulator (PAM).”
J Med Chem 59(18) 8495–507

Ciordia, M. Perez-Benito, L. Delgado, F. Trabanco, AA. Tresadern, G.
“Application of Free Energy Perturbation for the Design of BACE1 Inhibitors.”
J Chem Inf Model 56(9) 1856–71

Cordomi, A. Fourmy, D. Tikhonova, IG.
“Gut hormone GPCRs: structure, function, drug discovery.”
Curr Opin Pharmacol 31(0) 63–67

2015

Sposini, S. Caltabiano, G. Hanyaloglu, AC. Miele, R.
“Identification of transmembrane domains that regulate spatial arrangements and activity of prokineticin receptor 2 dimers.”
Mol Cell Endocrinol 399(0) 362–72

Vinals, X. Moreno, E. Lanfumey, L. Cordomi, A. Pastor, A. de, La, Torre, R. Gasperini, P. Navarro, G. Howell, LA. Pardo, L. Lluis, C. Canela, EI. McCormick, PJ. Maldonado, R. Robledo, P.
“Cognitive Impairment Induced by Delta9-tetrahydrocannabinol Occurs through Heteromers between Cannabinoid CB1 and Serotonin 5-HT2A Receptors.”
PLoS Biol 13(7) e10021–

Rios, S. Fernandez, MF. Caltabiano, G. Campillo, M. Pardo, L. Gonzalez, A.
“GPCRtm: An amino acid substitution matrix for the transmembrane region of class A G Protein-Coupled Receptors.”
BMC Bioinformatics 16(0) 206–

Matsoukas, MT. Aranguren-Ibanez, A. Lozano, T. Nunes, V. Lasarte, JJ. Pardo, L. Perez-Riba, M.
“Identification of small-molecule inhibitors of calcineurin-NFATc signaling that mimic the PxIxIT motif of calcineurin binding partners.”
Sci Signal 8(382) ra63–

Cordomi, A. Ismail, S. Matsoukas, MT. Escrieut, C. Gherardi, MJ. Pardo, L. Fourmy, D.
“Functional elements of the gastric inhibitory polypeptide receptor: Comparison between secretin- and rhodopsin-like G protein-coupled receptors.”
Biochem Pharmacol 96(3) 237–46

Molero, A. Vendrell, M. Bonaventura, J. Zachmann, J. Lopez, L. Pardo, L. Lluis, C. Cortes, A. Albericio, F. Casado, V. Royo, M.
“A solid-phase combinatorial approach for indoloquinolizidine-peptides with high affinity at D1 and D2 dopamine receptors.”
Eur J Med Chem 97(0) 173–80

Masia-Balague, M. Izquierdo, I. Garrido, G. Cordomi, A. Perez-Benito, L. Miller, NL. Schlaepfer, DD. Gigoux, V. Aragay, AM.
“Gastrin-stimulated Galpha13 Activation of Rgnef Protein (ArhGEF28) in DLD-1 Colon Carcinoma Cells.”
J Biol Chem 290(24) 15197–209

Marsango, S. Caltabiano, G. Pou, C. Varela, Liste, MJ. Milligan, G.
“Analysis of Human Dopamine D3 Receptor Quaternary Structure.”
J Biol Chem 290(24) 15146–62

Liste, MJ. Caltabiano, G. Ward, RJ. Alvarez-Curto, E. Marsango, S. Milligan, G.
“The molecular basis of oligomeric organization of the human M3 muscarinic acetylcholine receptor.”
Mol Pharmacol 87(6) 936–53

Cordomi, A. Navarro, G. Aymerich, MS. Franco, R.
“Structures for G-Protein-Coupled Receptor Tetramers in Complex with G Proteins.”
Trends Biochem Sci 40(10) 548–51

Perea, M. Lugtenburg, I. Mayol, E. Cordomi, A. Deupi, X. Pardo, L. Olivella, M.
“TMalphaDB and TMbetaDB: web servers to study the structural role of sequence motifs in alpha-helix and beta-barrel domains of membrane proteins.”
BMC Bioinformatics 16(0) 266–

Rosa, M. Caltabiano, G. Barreto-Valer, K. Gonzalez-Nunez, V. Gomez-Tamayo, JC. Arda, A. Jimenez-Barbero, J. Pardo, L. Rodriguez, RE. Arsequell, G. Valencia, G.
“Modulation of the Interaction between a Peptide Ligand and a G Protein-Coupled Receptor by Halogen Atoms.”
ACS Med Chem Lett 6(8) 872–6

Simeon-Aznar, CP. Fonollosa-Pla, V. Tolosa-Vilella, C. Espinosa-Garriga, G. Campillo-Grau, M. Ramos-Casals, M. Garcia-Hernandez, FJ. Castillo-Palma, MJ. Sanchez-Roman, J. Callejas-Rubio, JL. Ortego-Centeno, N. Egurbide-Arberas, MV.
“Registry of the Spanish Network for Systemic Sclerosis: Survival, Prognostic Factors, and Causes of Death.”
Medicine (Baltimore) 94(43) e1728–

Tapeinou, A. Matsoukas, MT. Simal, C. Tselios, T.
“Review cyclic peptides on a merry-go-round; towards drug design.”
Biopolymers 104(5) 453–61

2014

He, HQ. Troksa, EL. Caltabiano, G. Pardo, L. Ye, RD.
“Structural determinants for the interaction of formyl Peptide receptor 2 with Peptide ligands.”
J Biol Chem 289(4) 2295–306

Ramos, L. Del, Rey, J. Daina, G. Martinez-Passarell, O. Rius, M. Tunon, D. Campillo, M. Benet, J. Navarro, J.
“Does the S phase have an impact on the accuracy of comparative genomic hybridization profiles in single fibroblasts and human blastomeres?”
Fertil Steril 101(2) 488–495.e3

Gonzalez, A. Cordomi, A. Matsoukas, M. Zachmann, J. Pardo, L.
“Modeling of g protein-coupled receptors using crystal structures: from monomers to signaling complexes.”
Adv Exp Med Biol 796(0) 15–33

Daina, G. Ramos, L. Rius, M. Obradors, A. Del, Rey, J. Giralt, M. Campillo, M. Velilla, E. Pujol, A. Martinez-Pasarell, O. Benet, J. Navarro, J.
“Non-meiotic chromosome instability in human immature oocytes.”
Eur J Hum Genet 22(2) 202–7

Medina, RA. Vazquez-Villa, H. Gomez-Tamayo, JC. Benhamu, B. Martin-Fontecha, M. de, la, Fuente, T. Caltabiano, G. Hedlund, PB. Pardo, L. Lopez-Rodriguez, ML.
“The Extracellular Entrance Provides Selectivity to Serotonin 5-HT7 Receptor Antagonists with Antidepressant-like Behavior in Vivo.”
J Med Chem 57(15) 6879–84

Spyridaki, K. Matsoukas, MT. Cordomi, A. Gkountelias, K. Papadokostaki, M. Mavromoustakos, T. Logothetis, DE. Margioris, AN. Pardo, L. Liapakis, G.
“Structural-Functional Analysis of the Third Transmembrane Domain of the Corticotropin-releasing Factor Type 1 Receptor: ROLE IN ACTIVATION AND ALLOSTERIC ANTAGONISM.”
J Biol Chem 289(27) 18966–77

Kekarainen, T. Gonzalez, A. Llorens, A. Segales, J.
“Genetic variability of porcine circovirus 2 in vaccinating and non-vaccinating commercial farms.”
J Gen Virol 95(0) 1734–42

Srinivasan, S. Ramon, E. Cordomi, A. Garriga, P.
“Binding specificity of retinal analogs to photoactivated visual pigments suggest mechanism for fine-tuning GPCR-ligand interactions.”
Chem Biol 21(3) 369–78

MacKenzie, AE. Caltabiano, G. Kent, TC. Jenkins, L. McCallum, JE. Hudson, BD. Nicklin, SA. Fawcett, L. Markwick, R. Charlton, SJ. Milligan, G.
“The antiallergic mast cell stabilizers lodoxamide and bufrolin as the first high and equipotent agonists of human and rat GPR35.”
Mol Pharmacol 85(1) 91–104

Benhamu, B. Martin-Fontecha, M. Vazquez-Villa, H. Pardo, L. Lopez-Rodriguez, ML.
“Serotonin 5-HT6 Receptor Antagonists for the Treatment of Cognitive Deficiency in Alzheimer\’s Disease.”
J Med Chem 57(17) 7160–81

Fortuna, CG. Berardozzi, R. Bonaccorso, C. Caltabiano, G. Di, Bari, L. Goracci, L. Guarcello, A. Pace, A. Palumbo, Piccionello, A. Pescitelli, G. Pierro, P. Lonati, E. Bulbarelli, A. Cocuzza, CE. Musumarra, G. Musumeci, R.
“New potent antibacterials against Gram-positive multiresistant pathogens: Effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles.”
Bioorg Med Chem 22(24) 6814–25

Ramon, E. Cordomi, A. Aguila, M. Srinivasan, S. Dong, X. Moore, AT. Webster, AR. Cheetham, ME. Garriga, P.
“Differential Light-induced Responses in Sectorial Inherited Retinal Degeneration.”
J Biol Chem 289(52) 35918–28

Simeon-Aznar, CP. Tolosa-Vilella, C. Gabarro-Julia, L. Campillo-Grau, M. Guillen, Del, Castillo, A. Fonollosa-Pla, V. Vilardell-Tarres, M.
“Systemic sclerosis sine scleroderma and limited cutaneous systemic sclerosis: similarities and differences.”
Clin Exp Rheumatol 32(6) S–33

2013

Caltabiano, G. Gonzalez, A. Cordomi, A. Campillo, M. Pardo, L.
“The role of hydrophobic amino acids in the structure and function of the rhodopsin family of g protein-coupled receptors.”
Methods Enzymol 520(0) 99–115

Gandia, J. Fernandez-Duenas, V. Morato, X. Caltabiano, G. Gonzalez-Muniz, R. Pardo, L. Stagljar, I. Ciruela, F.
“The Parkinson\’s disease-associated GPR37 receptor-mediated cytotoxicity is controlled by its intracellular cysteine-rich domain.”
J Neurochem 125(3) 362–72

Olivella, M. Gonzalez, A. Pardo, L. Deupi, X.
“Relation between sequence and structure in membrane proteins.”
Bioinformatics 29(13) 1589–92

Cordomi, A. Gomez-Tamayo, JC. Gigoux, V. Fourmy, D.
“Sulfur-containing amino acids in 7TMRs: molecular gears for pharmacology and function.”
Trends Pharmacol Sci 34(6) 320–31

Fortuna, CG. Bonaccorso, C. Bulbarelli, A. Caltabiano, G. Rizzi, L. Goracci, L. Musumarra, G. Pace, A. Palumbo, Piccionello, A. Guarcello, A. Pierro, P. Cocuzza, CE. Musumeci, R.
“New linezolid-like 1,2,4-oxadiazoles active against Gram-positive multiresistant pathogens.”
Eur J Med Chem 65(0) 533–45

Olivella, M. Caltabiano, G. Cordomi, A.
“The role of Cysteine 6.47 in class A GPCRs.”
BMC Struct Biol 13(0) 3–

Matsoukas, MT. Cordomi, A. Rios, S. Pardo, L. Tselios, T.
“Ligand Binding Determinants for Angiotensin II Type 1 Receptor from Computer Simulations.”
J Chem Inf Model 53(11) 2874–83

Matsoukas, MT. Potamitis, C. Plotas, P. Androutsou, ME. Agelis, G. Matsoukas, J. Zoumpoulakis, P.
“Insights into AT1 Receptor Activation through AngII Binding Studies.”
J Chem Inf Model 53(11) 2798–811

2012

Liapakis, G. Cordomi, A. Pardo, L.
“The G-protein Coupled Receptor Family: Actors with Many Faces.”
Curr Pharm Des 18(2) 175–85

Cordomi, A. Caltabiano, G. Pardo, L.
“Membrane Protein Simulations Using AMBER Force Field and Berger Lipid Parameters”
J Chem Theory Comput 8(3) 948–958

Manglik, A. Kruse, AC. Kobilka, TS. Thian, FS. Mathiesen, JM. Sunahara, RK. Pardo, L. Weis, WI. Kobilka, BK. Granier, S.
“Crystal structure of the micro-opioid receptor bound to a morphinan antagonist.”
Nature 485(7398) 321–6

Gonzalez, A. Cordomi, A. Caltabiano, G. Pardo, L.
“Impact of helix irregularities on sequence alignment and homology modeling of g protein-coupled receptors.”
Chembiochem 13(10) 1393–9

Ersoy, BA. Pardo, L. Zhang, S. Thompson, DA. Millhauser, G. Govaerts, C. Vaisse, C.
“Mechanism of N-terminal modulation of activity at the melanocortin-4 receptor GPCR.”
Nat Chem Biol 8(8) 725–730

Martin-Couce, L. Martin-Fontecha, M. Palomares, O. Mestre, L. Cordomi, A. Hernangomez, M. Palma, S. Pardo, L. Guaza, C. Lopez-Rodriguez, ML. Ortega-Gutierrez, S.
“Chemical probes for the recognition of cannabinoid receptors in native systems.”
Angew Chem Int Ed Engl 51(28) 6896–9

Blattermann, S. Peters, L. Ottersbach, PA. Bock, A. Konya, V. Weaver, CD. Gonzalez, A. Schroder, R. Tyagi, R. Luschnig, P. Gab, J. Hennen, S. Ulven, T. Pardo, L. Mohr, K. Gutschow, M. Heinemann, A. Kostenis, E.
“A biased ligand for OXE-R uncouples Galpha and Gbetagamma signaling within a heterotrimer.”
Nat Chem Biol 8(7) 631–638

Simeon-Aznar, CP. Fonollosa-Pla, V. Tolosa-Vilella, C. Espinosa-Garriga, G. Ramos-Casals, M. Campillo-Grau, M. Garcia-Hernandez, FJ. Castillo-Palma, MJ. Sanchez-Roman, J. Callejas-Rubio, JL. Ortego-Centeno, N. Egurbide-Arberas, MV.
“Registry of the Spanish network for systemic sclerosis: clinical pattern according to cutaneous subsets and immunological status.”
Semin Arthritis Rheum 41(6) 789–800

2011

Sansuk, K. Deupi, X. Torrecillas, IR. Jongejan, A. Nijmeijer, S. Bakker, RA. Pardo, L. Leurs, R.
“A Structural Insight into the Reorientation of Transmembrane Domains 3 and 5 during Family A G Protein-Coupled Receptor Activation.”
Mol Pharmacol 79(2) 262–9

Orcajo-Rincon, AL. Ortega-Gutierrez, S. Serrano, P. Torrecillas, IR. Wuthrich, K. Campillo, M. Pardo, L. Viso, A. Benhamu, B. Lopez-Rodriguez, ML.
“Development of Non-Peptide Ligands of Growth Factor Receptor-Bound Protein 2-Src Homology 2 Domain Using Molecular Modeling and NMR Spectroscopy.”
J Med Chem 54(4) 1096–1100

Bosch-Presegue, L. Iarriccio, L. Aguila, M. Toledo, D. Ramon, E. Cordomi, A. Garriga, P.
“Hydrophobic amino acids at the cytoplasmic ends of helices 3 and 6 of rhodopsin conjointly modulate transducin activation.”
Arch Biochem Biophys 506(2) 142–9

Gonzalez, A. Murcia, M. Benhamu, B. Campillo, M. Lopez-Rodriguez, ML. Pardo, L.
“The importance of solvation in the design of ligands targeting membrane proteins”
Med Chem Commun 2(3) 160–164

Sriphrapradang, C. Tenenbaum-Rakover, Y. Weiss, M. Barkoff, MS. Admoni, O. Kawthar, D. Caltabiano, G. Pardo, L. Dumitrescu, AM. Refetoff, S.
“The coexistence of a novel inactivating mutant thyrotropin receptor allele with two thyroid peroxidase mutations: a genotype-phenotype correlation.”
J Clin Endocrinol Metab 96(6) e1001–e1006

Bosch-Presegue, L. Ramon, E. Toledo, D. Cordomi, A. Garriga, P.
“Alterations in the photoactivation pathway of rhodopsin mutants associated with retinitis pigmentosa.”
FEBS J 278(9) 1493–1505

Perez-Victoria, JM. Bavchvarov, BI. Torrecillas, IR. Martinez-Garcia, M. Lopez-Martin, C. Campillo, M. Castanys, S. Gamarro, F.
“Sitamaquine overcomes ABC-mediated resistance to miltefosine and antimony in Leishmania.”
Antimicrob Agents Chemother 55(8) 3838–44

Solans-Laque, R. Lopez-Hernandez, A. Angel, Bosch-Gil, J. Palacios, A. Campillo, M. Vilardell-Tarres, M.
“Risk, Predictors, and Clinical Characteristics of Lymphoma Development in Primary Sjogren\’s Syndrome.”
Semin Arthritis Rheum 41(3) 415–23

Gonzalez, A. Perez-Acle, T. Pardo, L. Deupi, X.
“Molecular Basis of Ligand Dissociation in beta-Adrenergic Receptors.”
PLoS One 6(9) e23815–

Christiansen, E. Urban, C. Grundmann, M. Due-Hansen, ME. Hagesaether, E. Schmidt, J. Pardo, L. Ullrich, S. Kostenis, E. Kassack, M. Ulven, T.
“Identification of a Potent and Selective Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonist with Favorable Physicochemical and in Vitro ADME Properties.”
J Med Chem 54(19) 6691–703

Toledo, D. Ramon, E. Aguila, M. Cordomi, A. Perez, JJ. Mendes, HF. Cheetham, ME. Garriga, P.
“Molecular mechanisms of disease for mutations at gly-90 in rhodopsin.”
J Biol Chem 286(46) 39993–40001

Marco, I. Valhondo, M. Martin-Fontecha, M. Vazquez-Villa, H. Del, Rio, J. Planas, A. Sagredo, O. Ramos, JA. Torrecillas, IR. Pardo, L. Frechilla, D. Benhamu, B. Lopez-Rodriguez, ML.
“New Serotonin 5-HT(1A) Receptor Agonists with Neuroprotective Effect against Ischemic Cell Damage.”
J Med Chem 54(23) 7986–7999

2010

Deupi, X. Olivella, M. Sanz, A. Dolker, N. Campillo, M. Pardo, L.
“Influence of the g- conformation of Ser and Thr on the structure of transmembrane helices.”
J Struct Biol 169(1) 116–123

Bokoch, MP. Zou, Y. Rasmussen, SG. Liu, CW. Nygaard, R. Rosenbaum, DM. Fung, JJ. Choi, HJ. Thian, FS. Kobilka, TS. Puglisi, JD. Weis, WI. Pardo, L. Prosser, RS. Mueller, L. Kobilka, BK.
“Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor.”
Nature 463(7277) 108–12

de, la, Fuente, T. Martin-Fontecha, M. Sallander, J. Benhamu, B. Campillo, M. Medina, RA. Pellissier, LP. Claeysen, S. Dumuis, A. Pardo, L. Lopez-Rodriguez, ML.
“Benzimidazole Derivatives as New Serotonin 5-HT(6) Receptor Antagonists. Molecular Mechanisms of Receptor Inactivation.”
J Med Chem 53(3) 1357–1369

Prat, E. Del, Rey, J. Ponsa, I. Nadal, M. Camps, J. Plaja, A. Campillo, M. Algaba, F. Gelabert, A. Miro, R.
“Comparative Genomic Hybridization Analysis Reveals New Different Subgroups in Early-stage Bladder Tumors.”
Urology 75(2) 347–355

Ye, S. Zaitseva, E. Caltabiano, G. Schertler, GF. Sakmar, TP. Deupi, X. Vogel, R.
“Tracking G-protein-coupled receptor activation using genetically encoded infrared probes.”
Nature 464(7293) 1386–9

Perez-Bocanegra, C. Solans-Laque, R. Simeon-Aznar, CP. Campillo, M. Fonollosa-Pla, V. Vilardell-Tarres, M.
“Age-related survival and clinical features in systemic sclerosis patients older or younger than 65 at diagnosis.”
Rheumatology (Oxford) 49(6) 1112–7

Navarro, G. Ferre, S. Cordomi, A. Moreno, E. Mallol, J. Casado, V. Cortes, A. Hoffmann, H. Ortiz, J. Canela, EI. Lluis, C. Pardo, L. Franco, R. Woods, AS.
“Interactions between Intracellular Domains as Key Determinants of the Quaternary Structure and Function of Receptor Heteromers.”
J Biol Chem 285(35) 27346–59

Deupi, X. Kobilka, BK.
“Energy Landscapes as a Tool to Integrate GPCR Structure, Dynamics, and Function.”
Physiology (Bethesda) 25(5) 293–303

2009

Schroder, R. Merten, N. Mathiesen, JM. Martini, L. Kruljac-Letunic, A. Krop, F. Blaukat, A. Fang, Y. Tran, E. Ulven, T. Drewke, C. Whistler, J. Pardo, L. Gomeza, J. Kostenis, E.
“The C-terminal Tail of CRTH2 Is a Key Molecular Determinant That Constrains G{alpha}i and Downstream Signaling Cascade Activation.”
J Biol Chem 284(2) 1324–36

Pellissier, LP. Sallander, J. Campillo, M. Gaven, F. Queffeulou, E. Pillot, M. Dumuis, A. Claeysen, S. Bockaert, J. Pardo, L.
“Conformational toggle switches implicated in basal constitutive and agonist-induced activated states of 5-hydroxytryptamine-4 receptors.”
Mol Pharmacol 75(4) 982–90

Medina, RA. Sallander, J. Benhamu, B. Porras, E. Campillo, M. Pardo, L. Lopez-Rodriguez, ML.
“Synthesis of new serotonin 5-HT7 receptor ligands. Determinants of 5-HT7/5-HT1A receptor selectivity.”
J Med Chem 52(8) 2384–92

Fung, JJ. Deupi, X. Pardo, L. Yao, XJ. Velez-Ruiz, GA. Devree, BT. Sunahara, RK. Kobilka, BK.
“Ligand-regulated oligomerization of beta(2)-adrenoceptors in a model lipid bilayer.”
EMBO J 28(21) 3315–3328

Yao, XJ. Velez, Ruiz, G. Whorton, MR. Rasmussen, SG. DeVree, BT. Deupi, X. Sunahara, RK. Kobilka, B.
“The effect of ligand efficacy on the formation and stability of a GPCR-G protein complex.”
Proc Natl Acad Sci U S A 106(23) 9501–6

2008

De, Leener, A. Caltabiano, G. Erkan, S. Idil, M. Vassart, G. Pardo, L. Costagliola, S.
“Identification of the first germline mutation in the extracellular domain of the follitropin receptor responsible for spontaneous ovarian hyperstimulation syndrome.”
Hum Mutat 29(1) 91–98

Bakker, RA. Jongejan, A. Sansuk, K. Hacksell, U. Timmerman, H. Brann, MR. Weiner, DM. Pardo, L. Leurs, R.
“Constitutively active mutants of the histamine H1 receptor suggest a conserved hydrophobic asparagine-cage that constrains the activation of class A G protein-coupled receptors.”
Mol Pharmacol 73(1) 94–103

Caltabiano, G. Campillo, M. De, Leener, A. Smits, G. Vassart, G. Costagliola, S. Pardo, L.
“The specificity of binding of glycoprotein hormones to their receptors.”
Cell Mol Life Sci 65(16) 2484–92

Royer, J. Lefevre-Minisini, A. Caltabiano, G. Lacombe, T. Malthiery, Y. Savagner, F. Pardo, L. Rodien, P.
“The cloned equine thyrotropin receptor is hypersensitive to human chorionic gonadotropin; identification of three residues in the extracellular domain involved in ligand specificity.”
Endocrinology 149(10) 5088–96

Xu, W. Sanz, A. Pardo, L. Liu-Chen, LY.
“Activation of the mu opioid receptor involves conformational rearrangements of multiple transmembrane domains.”
Biochemistry 47(40) 10576–86

2007

Pardo, L. Deupi, X. Dolker, N. Lopez-Rodriguez, ML. Campillo, M.
“The Role of Internal Water Molecules in the Structure and Function of the Rhodopsin Family of G Protein-Coupled Receptors.”
Chembiochem 8(1) 19–24

Smit, MJ. Vischer, HF. Bakker, RA. Jongejan, A. Timmerman, H. Pardo, L. Leurs, R.
“Pharmacogenomic and Structural Analysis of Constitutive G Protein-Coupled Receptor Activity.”
Annu Rev Pharmacol Toxicol 47(0) 53–87

Perez-Sacau, E. Diaz-Penate, RG. Estevez-Braun, A. Ravelo, AG. Garcia-Castellano, JM. Pardo, L. Campillo, M.
“Synthesis and Pharmacophore Modeling of Naphthoquinone Derivatives with Cytotoxic Activity in Human Promyelocytic Leukemia HL-60 Cell Line.”
J Med Chem 50(4) 696–706

Deupi, X. Dolker, N. Lopez-Rodriguez, M.L. Campillo, M. Ballesteros, J.A. Pardo, L.
“Structural models of class A G protein-coupled receptors as a tool for drug design: insights on transmembrane bundle plasticity”
Curr Top Med Chem 7(10) 991–998

Springael, JY. de Poorter, C. Deupi, X. Van, Durme, J. Pardo, L. Parmentier, M.
“The activation mechanism of chemokine receptor CCR5 involves common structural changes but a different network of interhelical interactions relative to rhodopsin.”
Cell Signal 19(7) 1446–56

Kobilka, BK. Deupi, X.
“Conformational complexity of G-protein-coupled receptors.”
Trends Pharmacol Sci 28(8) 397–406

Dolker, N. Deupi, X. Pardo, L. Campillo, M.
“Charge-charge and cation-π interactions in ligand binding to G protein-coupled receptors”
Theor Chem Account 118(3) 579–588

Reyes, CP. Munoz-Martinez, F. Torrecillas, IR. Mendoza, CR. Gamarro, F. Bazzocchi, IL. Nunez, MJ. Pardo, L. Castanys, S. Campillo, M. Jimenez, IA.
“Biological Evaluation, Structure-Activity Relationships, and Three-Dimensional Quantitative Structure-Activity Relationship Studies of Dihydro-beta-agarofuran Sesquiterpenes as Modulators of P-Glycoprotein-Dependent Multidrug Resistance.”
J Med Chem 50(20) 4808–4817

Oliver-Bonet, M. Campillo, M. Turek, PJ. Ko, E. Martin, RH.
“Analysis of replication protein A (RPA) in human spermatogenesis.”
Mol Hum Reprod 13(12) 837–44

2006

Mathiesen, JM. Christopoulos, A. Ulven, T. Royer, JF. Campillo, M. Heinemann, A. Pardo, L. Kostenis, E.
“On the Mechanism of Interaction of Potent Surmountable and Insurmountable Antagonists with the Prostaglandin D2 Receptor CRTH2.”
Mol Pharmacol 69(4) 1441–53

Codina-Pascual, M. Campillo, M. Kraus, J. Speicher, MR. Egozcue, J. Navarro, J. Benet, J.
“Crossover frequency and synaptonemal complex length: their variability and effects on human male meiosis.”
Mol Hum Reprod 12(2) 123–133

Pujol, A. Benet, J. Staessen, C. Van, Assche, E. Campillo, M. Egozcue, J. Navarro, J.
“The importance of aneuploidy screening in reciprocal translocation carriers.”
Reproduction 131(6) 1025–1035

Verzijl, D. Pardo, L. van, Dijk, M. Gruijthuijsen, YK. Jongejan, A. Timmerman, H. Nicholas, J. Schwarz, M. Murphy, PM. Leurs, R. Smit, MJ.
“Helix 8 of the Viral Chemokine Receptor ORF74 Directs Chemokine Binding.”
J Biol Chem 281(46) 35327–35

2005

Lopez-Rodriguez, ML. Morcillo, MJ. Fernandez, E. Benhamu, B. Tejada, I. Ayala, D. Viso, A. Campillo, M. Pardo, L. Delgado, M. Manzanares, J. Fuentes, JA.
“Synthesis and Structure-Activity Relationships of a New Model of Arylpiperazines. 8.(1) Computational Simulation of Ligand-Receptor Interaction of 5-HT(1A)R Agonists with Selectivity over alpha(1)-Adrenoceptors.”
J Med Chem 48(0) 2548–2558

Urizar, E. Claeysen, S. Deupi, X. Govaerts, C. Costagliola, S. Vassart, G. Pardo, L.
“An Activation Switch in the Rhodopsin Family of G Protein-coupled Receptors: THE THYROTROPIN RECEPTOR.”
J Biol Chem 280(17) 17135–41

Lopez-Rodriguez, ML. Benhamu, B. de, la, Fuente, T. Sanz, A. Pardo, L. Campillo, M.
“A Three-Dimensional Pharmacophore Model for 5-Hydroxytryptamine(6) (5-HT(6)) Receptor Antagonists.”
J Med Chem 48(13) 4216–4219

Codina-Pascual, M. Oliver-Bonet, M. Navarro, J. Campillo, M. Garcia, F. Egozcue, S. Abad, C. Egozcue, J. Benet, J.
“Synapsis and meiotic recombination analyses: MLH1 focus in the XY pair as an indicator.”
Hum Reprod 20(8) 2133–9

Cortes-Selva, F. Jimenez, IA. Munoz-Martinez, F. Campillo, M. Bazzocchi, IL. Pardo, L. Ravelo, AG. Castanys, S. Gamarro, F.
“Dihydro-beta-Agarofuran Sesquiterpenes: A New Class of Reversal Agents of the Multidrug Resistance Phenotype Mediated by P-Glycoprotein in the Protozoan Parasite Leishmania.”
Curr Pharm Des 11(24) 3125–39

Jongejan, A. Bruysters, M. Ballesteros, J.A. Haaksma, E. Bakker, R.A. Pardo, L. Leurs, R.
“Linking agonist binding to histamine H1 receptor activation.”
Nature Chem Biol 1(2) 98–103

Xu, W. Campillo, M. Pardo, L. Kim, de, Riel, J. Liu-Chen, LY.
“The Seventh Transmembrane Domains of the delta and kappa Opioid Receptors Have Different Accessibility Patterns and Interhelical Interactions.”
Biochemistry 44(49) 16014–16025

2004

Vassart, G. Pardo, L. Costagliola, S.
“A molecular dissection of the glycoprotein hormone receptors.”
Trends Biochem Sci 29(0) 119–26

Carballeira, J.D. Alvarez, E. Campillo, M. Pardo, L. Sinisterra, J.V.
“Diplogelasinospora grovesii IMI 171018, a new whole cell biocatalyst for the stereoselective reduction of ketones”
Tetrahedron: Asymmetry 15(6) 951–962

Pujol, A. Benet, J. Campillo, M. Codina-Pascual, M. Egozcue, J. Navarro, J.
“The use of a cell-cycle phase-marker may decrease the percentage of errors when using FISH in PGD.”
Cytogenet Genome Res 105(1) 29–35

Cortes-Selva, F. Campillo, M. Reyes, CP. Jimenez, IA. Castanys, S. Bazzocchi, IL. Pardo, L. Gamarro, F. Ravelo, AG.
“SAR Studies of Dihydro-beta-agarofuran Sesquiterpenes as Inhibitors of the Multidrug-Resistance Phenotype in a Leishmania tropica Line Overexpressing a P-Glycoprotein-Like Transporter.”
J Med Chem 47(3) 576–587

Montanelli, L. Van, Durme, JJ. Smits, G. Bonomi, M. Rodien, P. Devor, EJ. Moffat-Wilson, K. Pardo, L. Vassart, G. Costagliola, S.
“Modulation of ligand selectivity associated with activation of the transmembrane region of the human follitropin receptor.”
Mol Endocrinol 18(8) 2061–73

Lopez-Rodriguez, M.L. Benhamu, B. Morcillo, M.J. Porras, E. Lavandera, J.L. Pardo, L.
“Serotonin 5-HT7 Receptor Antagonists.”
Curr. Med. Chem. – Centr. Nerv. Syst. Agents 4(3) 203–214

Deupi, X. Olivella, M. Govaerts, C. Ballesteros, JA. Campillo, M. Pardo, L.
“Ser and Thr Residues Modulate the Conformation of Pro-Kinked Transmembrane alpha-Helices.”
Biophys J 86(1) 105–15

2003

Govaerts, C. Bondue, A. Springael, JY. Olivella, M. Deupi, X. Le, Poul, E. Wodak, SJ. Parmentier, M. Pardo, L. Blanpain, C.
“Activation of CCR5 by chemokines involves an aromatic cluster between transmembrane helices 2 and 3.”
J Biol Chem 278(3) 1892–903

Smits, G. Campillo, M. Govaerts, C. Janssens, V. Richter, C. Vassart, G. Pardo, L. Costagliola, S.
“Glycoprotein hormone receptors: determinants in leucine-rich repeats responsible for ligand specificity.”
EMBO J 22(11) 2692–703

Lopez-Rodriguez, ML. Benhamu, B. Murcia, M. Alvaro, E. Campillo, M. Pardo, L.
“Benzimidazole derivatives. 4. The recognition of the voluminous substituent attached to the basic amino group of 5-HT4 receptor antagonists.”
J Comput Aided Mol Des 17(8) 515–24

Lopez-Rodriguez, ML. Morcillo, MJ. Fernandez, E. Benhamu, B. Tejada, I. Ayala, D. Viso, A. Olivella, M. Pardo, L. Delgado, M. Manzanares, J. Fuentes, JA.
“Design and synthesis of S-(-)-2-[[4-(napht-1-yl)piperazin-1-yl]methyl]-1,4-dioxoperhydropyrrolo[1, 2-a]pyrazine (CSP-2503) using computational simulation. A 5-HT1A receptor agonist.”
Bioorg Med Chem Lett 13(8) 1429–32

Lopez-Rodriguez, ML. Porras, E. Morcillo, MJ. Benhamu, B. Soto, LJ. Lavandera, JL. Ramos, JA. Olivella, M. Campillo, M. Pardo, L.
“Optimization of the pharmacophore model for 5-HT7R antagonism. Design and synthesis of new naphtholactam and naphthosultam derivatives.”
J Med Chem 46(26) 5638–50

Bosch, D. Campillo, M. Pardo, L.
“Binding of proteins to the minor groove of DNA: What are the structural and energetic determinants for kinking a basepair step?”
J Comput Chem 24(6) 682–91

Pujol, A. Boiso, I. Benet, J. Veiga, A. Durban, M. Campillo, M. Egozcue, J. Navarro, J.
“Analysis of nine chromosome probes in first polar bodies and metaphase II oocytes for the detection of aneuploidies.”
Eur J Hum Genet 11(4) 325–36

2002

Smits, G. Govaerts, C. Nubourgh, I. Pardo, L. Vassart, G. Costagliola, S.
“Lysine 183 and glutamic acid 157 of the TSH receptor: two interacting residues with a key role in determining specificity toward TSH and human CG.”
Mol Endocrinol 16(4) 722–35

Claeysen, S. Govaerts, C. Lefort, A. Van, Sande, J. Costagliola, S. Pardo, L. Vassart, G.
“A conserved Asn in TM7 of the thyrotropin receptor is a common requirement for activation by both mutations and its natural agonist.”
FEBS Lett 517(1) 195–200

Lopez-Rodriguez, ML. Benhamu, B. Morcillo, MJ. Murcia, M. Viso, A. Campillo, M. Pardo, L.
“5-HT(4) receptor antagonists: structure-affinity relationships and ligand-receptor interactions.”
Curr Top Med Chem 2(6) 625–41

Lopez-Rodriguez, ML. Murcia, M. Benhamu, B. Viso, A. Campillo, M. Pardo, L.
“Benzimidazole derivatives. 3. 3D-QSAR/CoMFA model and computational simulation for the recognition of 5-HT(4) receptor antagonists.”
J Med Chem 45(22) 4806–15

Olivella, M. Deupi, X. Govaerts, C. Pardo, L.
“Influence of the Environment in the Conformation of alpha-Helices Studied by Protein Database Search and Molecular Dynamics Simulations.”
Biophys J 82(6) 3207–13

Lopez-Rodriguez, ML. Vicente, B. Deupi, X. Barrondo, S. Olivella, M. Morcillo, MJ. Behamu, B. Ballesteros, JA. Salles, J. Pardo, L.
“Design, synthesis and pharmacological evaluation of 5-hydroxytryptamine(1A) receptor ligands to explore the three-dimensional structure of the receptor.”
Mol Pharmacol 62(1) 15–21

Guitart, M. Jimenez, M. Giraldo, J. Gonalons, E. Badia, A.
“Changes in electrophysiological properties in the prostatic portion of vas deferens from spontaneously hypertensive rats.”
Naunyn Schmiedebergs Arch Pharmacol 366(5) 425–30

Giraldo, J. Vivas, NM. Vila, E. Badia, A.
“Assessing the (a)symmetry of concentration-effect curves: empirical versus mechanistic models.”
Pharmacol Ther 95(1) 21–45

Bassols, Farres, A. Bosch-Llonch, F. Campillo-Grau, M. Banos-Diez, JE.
“[An epidemiologic study of headache and its treatment in the general population of Catalonia].”
Rev Neurol 34(10) 901–8

2001

Nebot-Cegarra, J. Fabregas, PJ. Campillo, M. Ricart, S.
“Separation between the digestive and the respiratory lumina during the human embryonic period: morphometric study along the tracheo-oesophageal septum.”
J Anat 198(0) 117–24

Lopez-Rodriguez, ML. Murcia, M. Benhamu, B. Olivella, M. Campillo, M. Pardo, L.
“Computational model of the complex between GR113808 and the 5-HT4 receptor guided by site-directed mutagenesis and the crystal structure of rhodopsin.”
J Comput Aided Mol Des 15(11) 1025–33

Govaerts, C. Blanpain, C. Deupi, X. Ballet, S. Ballesteros, JA. Wodak, SJ. Vassart, G. Pardo, L. Parmentier, M.
“The TXP motif in the second transmembrane helix of CCR5. A structural determinant of chemokine-induced activation.”
J Biol Chem 276(16) 13217–25

Lopez-Rodriguez, ML. Murcia, M. Benhamu, B. Viso, A. Campillo, M. Pardo, L.
“3-D-QSAR/CoMFA and recognition models of benzimidazole derivatives at the 5-HT(4) receptor.”
Bioorg Med Chem Lett 11(21) 2807–11

Lopez-Rodriguez, M.L. Benhamu, B. Viso, A. Murcia, M. Pardo, L.
“Study of the bioactive conformation of novel 5-HT4 receptor ligands: influence of an intramolecular hydrogen bond”
Tetrahedron 57(31) 6745–6749

Govaerts, C. Lefort, A. Costagliola, S. Wodak, SJ. Ballesteros, JA. Van, Sande, J. Pardo, L. Vassart, G.
“A conserved Asn in transmembrane helix 7 is an on/off switch in the activation of the thyrotropin receptor.”
J Biol Chem 276(25) 22991–9

Lopez-Rodriguez, ML. Morcillo, MJ. Fernandez, E. Rosado, ML. Pardo, L. Schaper, K.
“Synthesis and structure-activity relationships of a new model of arylpiperazines. Study of the 5-HT(1a)/alpha(1)-adrenergic receptor affinity by classical hansch analysis, artificial neural networks, and computational simulation of ligand recognition.”
J Med Chem 44(2) 198–207

Bosch, D. Foloppe, N. Pastor, N. Pardo, L. Campillo, M.
“Calibrating nucleic acids torsional energetics in force-field: insights from model compounds”
J Mol Struct (THEOCHEM) 537(0) 283–305

2000

Pardo, L. Campillo, M. Bosch, D. Pastor, N. Weinstein, H.
“Binding mechanisms of TATA box-binding proteins: DNA kinking is stabilized by specific hydrogen bonds.”
Biophys J 78(4) 1988–96

Moron, JA. Campillo, M. Perez, V. Unzeta, M. Pardo, L.
“Molecular determinants of MAO selectivity in a series of indolylmethylamine derivatives: biological activities, 3D-QSAR/CoMFA analysis, and computational simulation of ligand recognition.”
J Med Chem 43(9) 1684–91

Rodriguez-Martos, A. Rubio, G. Auba, J. Santo-Domingo, J. Torralba, L. Campillo, M.
“Readiness to change questionnaire: reliability study of its Spanish version.”
Alcohol & Alcoholism 35(3) 270–5

Ballesteros, JA. Deupi, X. Olivella, M. Haaksma, EE. Pardo, L.
“Serine and threonine residues bend alpha-helices in the chi(1) = g(-) conformation.”
Biophys J 79(5) 2754–60

1999

Bassols, A. Bosch, F. Campillo, M. Canellas, M. Banos, JE.
“An epidemiological comparison of pain complaints in the general population of Catalonia (Spain).”
Pain 83(1) 9–16

Tabernero, A. Giraldo, J. Vila, E.
“Modelling the changes due to the endothelium and hypertension in the alpha-adrenoreceptor-mediated responses of rat aorta.”
J Auton Pharmacol 19(4) 219–28

Guitart, M. Giraldo, J. Gonalons, E. Vila, E. Badia, A.
“Adrenergic and purinergic components in bisected vas deferens from spontaneously hypertensive rats.”
Br J Pharmacol 128(4) 873–80

Giraldo, J.
“A pH-dependent model of the activation mechanism of the histamine H2 receptor.”
Biochem Pharmacol 58(2) 343–53

1998

Pastor, N. Pardo, L. Weinstein, H.
“How the TATA box selects its protein partner.”
ACS Symposium Series 682(0) 329–345

Pardo, L. Pastor, N. Weinstein, H.
“Selective binding of the TATA box-binding protein to the TATA box-containing promoter: analysis of structural and energetic factors.”
Biophys J 75(5) 2411–21

Pardo, L. Sepulcre, F. Cladera, J. Dunach, M. Labarta, A. Tejada, J. Padros, E.
“Experimental and theoretical characterization of the high-affinity cation-binding site of the purple membrane.”
Biophys J 75(2) 777–84

Pardo, L. Pastor, N. Weinstein, H.
“Progressive DNA bending is made possible by gradual changes in the torsion angle of the glycosyl bond.”
Biophys J 74(5) 2191–8

Giraldo, J.
“The slope parameter and the receptor reserve.”
Trends Pharmacol Sci 19(11) 445–6

Giraldo, J. Wodak, SJ. van, Belle, D.
“Conformational analysis of GpA and GpAp in aqueous solution by molecular dynamics and statistical methods.”
J Mol Biol 283(4) 863–82

1997

Jones, M. Abrahams, PH. Sanudo, JR. Campillo, M.
“Incidence and morphology of accessory heads of flexor pollicis longus and flexor digitorum profundus (Gantzer’s muscles)”
J Anat 191(0) 451–5

Pardo, L. Campillo, M. Giraldo, J.
“The effect of the molecular mechanism of G protein-coupled receptor activation on the process of signal transduction.”
Eur J Pharmacol 335(1) 73–87

Pardo, L. Weinstein, H.
“On the structure and activity of membrane receptors: a computational simulation of ligand-triggered activation in a model 5HT1A receptor”
Int. J. Quantum Chem. 63(0) 767–780

Pastor, N. Pardo, L. Weinstein, H.
“Does TATA matter? A structural exploration of the selectivity determinants in its complexes with TATA box-binding protein.”
Biophys J 73(2) 640–52

Vivas, NM. Giraldo, J. Tabernero, A. Vila, E. Badia, A.
“Use of the operational model of agonism and [3H]prazosin binding to assess altered responsiveness of alpha1-adrenoceptors in the vas deferens of spontaneously hypertensive rat.”
Naunyn Schmiedebergs Arch Pharmacol 356(3) 383–91

Vila, E. Vivas, NM. Tabernero, A. Giraldo, J. Arribas, SM.
“Alpha 1-adrenoceptor vasoconstriction in the tail artery during ageing.”
Br J Pharmacol 121(5) 1017–23

Hoyo, Y. Giraldo, J. Vila, E.
“Effects of L-NG-nitro-arginine on noradrenaline induced contraction in the rat anococcygeus muscle.”
Br J Pharmacol 120(6) 1035–8