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

Original articles in indexed journals - Systems Pharmacology

Speck-Planche A1, Cordeiro MNDS. Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins. Mol Divers, 2017; 21(3): 511-523 . PMID: 28194627 . DOI: 10.1007/s11030-017-9731-1.

2017

Original articles in indexed journals - Structural Bioinformatics

Valls-Comamala V, Guivernau B, Bonet J, Puig M, Perálvarez-Marín A, Palomer E, Fernàndez-Busquets X, Altafaj X, Tajes M, Puig-Pijoan A, Vicente R, Oliva B, Muñoz FJ. The antigen-binding fragment of human gamma immunoglobulin prevents amyloid B-peptide folding into B-sheet to form oligomers. Oncotarget, 2017; 8; 25: 41154-41165. PMID: 28467807 . DOI: 10.18632/oncotarget.17074.

2017

Original articles in indexed journals - Computational Science

Jiménez J, Doerr S, Martínez-Rosell G, Rose AS, de Fabritiis G. DeepSite: Protein binding site predictor using 3D-convolutional neural networks. Bioinformatics, 2017 . PMID: 28575181 . DOI: 10.1093/bioinformatics/btx350.

2017

Original articles in indexed journals - Systems Pharmacology

Saadeh HA, Khasawneh MA, Samadi A, El-Haty IA, Satala G, Bojarski AJ, Ismaili L, Bautista-Aguilera OM, Yanez M, Mestres J, Marco-Contelles J. Design, Synthesis and Biological Evaluation of Potent Antioxidant 1-(2,5-Dimethoxybenzyl)-4-arylpiperazines and N-Azolyl Substituted 2-(4-Arylpiperazin-1-yl). CHEMISTRYSELECT, 2017; 2 (13): 3854-3859 . PMID: . DOI: 10.1002/slct.201700397.

2017

Original articles in indexed journals - Structural Bioinformatics

Aguilar D, Pinart M, Koppelman GH, Saeys Y, Nawijn MC, Postma DS, Akdis M, Auffray C, Ballereau S, Benet M, Garcia-Aymerich J, Gonzalez JR, Guerra S, Keil T, Kogevinas M, Lambrecht B, Lemonnier N, Melen E, Sunyer J, Valenta R, Valverde S, Wickman M, Bousquet J, Oliva B, Anto JM. Computational analysis of multimorbidity between asthma, eczema and rhinitis. PLoS One, 2017; 12 (6): e0179125 . PMID: . DOI: 10.1371/journal.pone.0179125.

2017