Original articles in indexed journals - Computational Science

Kapoor A, Martínez G, Provasi D, de Fabritiis G, Filizola M. Dynamic and Kinetic Elements of µ-Opioid Receptor Functional Selectivity. Sci Rep, 2017; 7(1): 11255. PMID: 28900175 . DOI: 10.1038/s41598-017-11483-8.

2017

Original articles in indexed journals - GPCR Drug Discovery

Azuaje J, López P, Iglesias A, de la Fuente RA, Pérez-Rubio JM, García D, Stępniewski TM, García-Mera X, Brea JM, Selent J, Pérez D, Castro M, Loza MI, Sotelo E. Development of Fluorescent Probes that Target Serotonin 5-HT2B Receptors. Sci Rep, 2017; 7 (1): 10765 . PMID: 28883627 . DOI: 10.1038/s41598-017-11370-2.

2017

Original articles in indexed journals - Computational RNA Biology

Climente-González H, Porta-Pardo E, Godzik A, Eyras E. The Functional Impact of Alternative Splicing in Cancer. Cell Rep, 2017; 20 (9): 2215-2226. PMID: 28854369 . DOI: 10.1016/j.celrep.2017.08.012.

2017

Original articles in indexed journals - Systems Pharmacology

Concu R, Kleandrova VV, Speck-Planche A, Cordeiro MNDS. Probing the Toxicity of Nanoparticles: a Unified In Silico Machine Learning Model based on Perturbation Theory. Nanotoxicology 2017; 11(7): 891-906 . PMID: 10.1080/17435390.2017.1379567 . DOI: 28937298.

2017

Original articles in indexed journals - Systems Pharmacology

Kumar R, Yadav N, Lavilla R, Blasi D, Quintana J, Brea JM, Loza MI, Mestres J, Bhandari M, Arora R, Kakkar R, Prasad AK. Synthesis, pharmacological evaluation and molecular docking of pyranopyrazole-linked 1,4-dihydropyridines as potent positive inotropes. Mol Divers, 2017; 21; 3:  533-546. PMID: 28444482 . DOI: 10.1007/s11030-017-9738-7.

2017

Original articles in indexed journals - Integrative Biomedical Informatics - Structural Bioinformatics

Rubio-Pérez C, Guney E, Aguilar D, Piñero J, García-García J, Iadarola B, Sanz F, Fernandez-Fuentes N, Furlong LI, Oliva B. Genetic and functional characterization of disease associations explains comorbidity. Sci Rep, 2017; 7 (1): 6207 . PMID: 28740175 . DOI: 10.1038/s41598-017-04939-4.

2017

Original articles in indexed journals - Evolutionary Genomics

Villanueva-Cañas JL Ruiz-Orera J, Agea MI, Gallo M, Andreu D, Alba MM. New Genes and Functional Innovation in Mammals. Genome Biol Evol, 2017; 9; 7: 1886–1900. PMID: 28854603 . DOI: 10.1093/gbe/evx136.

2017

Original articles in indexed journals - Computational Science

Doerr S, Giorgino T, Martínez G, Damas JM, de Fabritiis G. High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD. J Chem Theory Comput, 2017 . PMID: 28723224 . DOI: 10.1021/acs.jctc.7b00480.

2017

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A, Cordeiro MNDS. Speeding up Early Drug Discovery in Antiviral Research: a Fragment Based In Silico Approach for the Design of Virtual Anti-Hepatitis C Leads. ACS Comb Sci 2017; 19(8): 501-512 . PMID: 28437091 . DOI: 10.1021/acscombsci.7b00039.

2017

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A, Cordeiro MNDS. Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins. Mol Divers, 2017; 21(3):525. PMID: 28766255 . DOI: 10.1007/s11030-017-9766-3.

2017