Original articles in indexed journals - Systems Pharmacology

Schmidt F, Amberg A, Mulliner D, Stolte M, Matter H, Hessler G, Dietrich A, Remez N, Vidal D, Mestres J, Czich A. Computational prediction of off-target related safety liabilities of molecules: Cardiotoxicity, hepatotoxicity and reproductive toxicity. Toxicol Let, 229 S164-S164; S DOI: 10.1016/j.toxlet.2014.06.564 SEP 10 2014.

2014

Original articles in indexed journals - Integrative Biomedical Informatics

Grosdidier S, Ferrer A, Faner R, Piñero J, Roca J, Cosío B, Agustí A, Gea J, Sanz F, Furlong LI. Network medicine analysis of COPD multimorbidities. Respir Res, 2014; 15(1): 111. PMID: 25248857 . DOI: 10.1186/s12931-014-0111-4.

2014

Original articles in indexed journals - GPCR Drug Discovery

Magnani F, Pappas C, Crook T, Magafa V, Cordopatis P, Ishiguro S, Ohta N, Selent J, Bosnyak S, Jones ES, Gerothanassis I, Tamura M, Widdop ER, Tzakos AG. Sculpting GPCR peptide-ligand subtype selectivity: tackling cancer via a novel drug target. Journal of Peptide Science, 2014; 20 S40-S41

2014

PhD Thesis - GPCR Drug Discovery

Guixà R. Modeling the interplay between membrane lipids and GPCRs. Universitat Pompeu Fabra. July 23rd, 2014. Thesis Director: Selent J.

2014

Original articles in indexed journals - Computational Biophysics

Lauro G, Ferruz N, Fulle S, Harvey MJ, Finn PW*, de Fabritiis G*. Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods. J Chem Inf Model, 2014; 54(8):2185-9. PMID: 25046765 . DOI: 10.1021/ci500309a. Epub 2014 Jul 31.

2014

Original articles in indexed journals - Systems Pharmacology

Horvath D, Lisurek M, Rupp B, Kühne R, Specker E, von Kries J, Rognan D, Andersson CD, Almqvist F, Elofsson M, Enqvist PA, Gustavsson AL, Remez N, Mestres J, Marcou G, Varnek A, Hibert M, Quintana J, Frank R.Design of a General-Purpose European Compound Screening Library for EU-OPENSCREEN. ChemMedChem, 2014; 9 (10):2309-2326. PMID: 25044981 . DOI: 10.1002/cmdc.201402126.

2014

Original articles in indexed journals - GPCR Drug Discovery

Magnani F, Pappas CG, Crook T, Magafa V, Cordopatis P, Ishiguro S, Ohta N, Selent J, Bosnyak S, Jones ES, Gerothanassis IP, Tamura M, Widdop RE, Tzakos AG. Electronic Sculpting of Ligand-GPCR Subtype Selectivity: The Case of Angiotensin II. ACS Chem Biol, 2014; 9 (7):1420-1425 DOI: 10.1021/cb500063y JUL 2014.

2014

Original articles in indexed journals - Evolutionary Genomics

Gayà-Vidal M, Albà MM. Uncovering adaptive evolution in the human lineage. BMC Genomics, 2014; 15 (1): 599. PMID: 25030307 .

2014

Other - Integrative Biomedical Informatics

Carbonell P, Trosset JY. Overcoming drug resistance through in silico prediction. Drug Discov Today Thecnol, 2014; 11: 101-7. PMID: 24847659 .

2014

Original articles in indexed journals - GPCR Drug Discovery

Guixa-Gonzalez R, Javanainen M, Martinez-Seara H, Gomez-Soler M, Domingo JC, Vattulainen I, Ciruela F, Selent J. Cell Membrane Composition Affects GPCR Aggregation. Biophys J, 2014; 106 (2):517A-518A: Sup 1

2014