Publications

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2019


  1. 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
    Abstract PubMed Link

  2. 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
    Abstract PubMed Link

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

  4. 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
    Abstract PubMed Link

  5. 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
    Abstract PubMed Link

  6. 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
    Abstract PubMed Link

  7. 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
    Abstract PubMed Link

  8. 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
    Abstract PubMed Link

  9. 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
    Abstract PubMed Link

  10. 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–
    Abstract PubMed Link

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

  12. 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
    Abstract PubMed Link

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

  14. 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
    Abstract PubMed Link