Original articles in indexed journals - Computational Science

Doerr S, De Fabritiis G. On-the-Fly Learning and Sampling of Ligand Binding by High-Throughput Molecular Simulations. J Chem Theory Comput, 10 (5): 2064-2069 DOI: 10.1021/ct400919u MAY 2014.

2014

Original articles in indexed journals - GPCR Drug Discovery

Guixa-Gonzalez R, Rodriguez-Espigares I, Ramirez-Anguita JM, Carrio-Gaspar P, Martinez-Seara H, Giorgino T, Selent J. MEMBPLUGIN: studying membrane complexity in VMD. Bioinformatics, 2014; 30; 10: 1478-80 DOI: 10.1093/bioinformatics/btu037.

2014

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics - GPCR Drug Discovery

Selent J, Marti-Solano M, Rodríguez J, Atanes P, Brea J, Castro M, Sanz F, Loza MI, Pastor M. Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles. Eur J Med Chem, 2014; 77C: 91-95 . PMID: 24631727 . DOI: 10.1016/j.ejmech.2014.02.058 APR 2014.

2014

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Marti-Solano M, Birney E, Bril A, Della Pasqua O, Kitano H, Mons B, Xenarios I, Sanz F. Integrative knowledge management to enhance pharmaceutical R&D. Nat Rev Drug Discov, 2014;13(4): 239-40. PMID: 24687050 . DOI: 10.1038/nrd4290.

2014

Original articles in indexed journals - Integrative Biomedical Informatics

Bravo A, Cases M, Queralt-Rosinach N, Sanz F, Furlong LI. A Knowledge-Driven Approach to Extract Disease-Related Biomarkers from the Literature. BioMed Research International, 2014: 253128. PMID: 24839601 . DOI: 10.1155/2014/253128.

2014

Original articles in indexed journals - Structural Bioinformatics

Guney E, Oliva B. Analysis of the robustness of network-based disease-gene prioritization methods reveals redundancy in the human interactome and functional diversity of disease-genes. PLoS One, 2014; 9(4): e94686 . PMID: 24733074 . DOI: 10.1371/journal.pone.0094686. eCollection 2014..

2014

Original articles in indexed journals - Structural Bioinformatics

Fornes O, Garcia-Garcia J, Bonet J, Oliva B. On the Use of Knowledge-Based Potentials for the Evaluation of Models of Protein-Protein, Protein-DNA, and Protein-RNA Interactions. Adv Protein Chem Str, 2014; 94: 77-120 . PMID: 24629186 . DOI: 10.1016/B978-0-12-800168-4.00004-4..

2014

Original articles in indexed journals - Systems Pharmacology

Spitzmüller A, Mestres J. Identification of host interactions for phenotypic antimalarial hits. J Cheminformatics, 2014; 6(Suppl 1):O12 . PMID: 24765110 .

2014

Original articles in indexed journals - Computational Science

Dainese E, De Fabritiis G, Sabatucci A, Oddi S, Angelucci CB, Di Pancrazio C, Giorgino T, Stanley N, Del Carlo M, Cravatt B, Maccarrone M. Membrane lipids are key-modulators of the endocannabinoid-hydrolase FAAH. Biochem J, 2014; 457 (3): 463-72. PMID: 24215562 . DOI: 10.1042/BJ20130960.

2014

Original articles in indexed journals - Computational Genomics - group

Ferreira PG, Jares P, Rico D, Gómez-López G, Martínez-Trillos A, Villamor N, Ecker S, González-Pérez A, Knowles DG, Monlong J, Johnson R, Quesada V, Gouin A, Djebali S, López-Guerra M, Colomer D, Royo C, Cazorla M, Pinyol M, Clot G, Aymerich M, Rozman M, Kulis M, Tamborero D, Papasaikas P, Blanc J, Gut M, Gut I, Puente XS, Pisano DG, Martin-Subero JI, López-Bigas N, López-Guillermo A, Valencia A, López-Otín C, Campo E, Guigo R. Transcriptome characterization by RNA sequencing identifies a major molecular and clinical subdivision in chronic lymphocytic leukemia. Genome Res, 2014; 24 (2): 212-226. PMID: 24265505 . DOI: 10.1101/gr.152132.112.

2014