Original articles in indexed journals - Systems Pharmacology - Computational Science

Ferruz N, Harvey M, Mestres J, de Fabritiis G. Insights from Fragment Hit Binding Assays by Molecular Simulations. J Chem Inf Model, 2015; 55 (10): 2200-2205 . PMID: 26376295 . DOI: 10.1021/acs.jcim.5b00453 OCT 2015.

2015

Original articles in indexed journals - Systems Pharmacology

Garcia-Serna R, Vidal D, Remez N, Mestres J. Large Scale Predictive Drug Safety: From Structural Alerts to Biological Mechanisms. Chem Res Toxicol, 2015; 28 (10): 1875-1887 . PMID: 26360911 . DOI: 10.1021/ acs.chemrestox. 5b00260.

2015

Original articles in indexed journals - Structural Bioinformatics

Resa-Infante P, Paterson D, Bonet J, Otte A, Oliva B, Fodor E, Gabriel G. Targeting importin-alpha 7 as a therapeutic approach against pandemic influenza viruses. J Virol, 2015; 89 (17): 9010-9020 DOI: 10.1128/JVI.00583-15 SEP 2015.

2015

Original articles in indexed journals - GPCR Drug Discovery

Cournia Z, Allen TW, Andricioaei I, Antonny B, Baum D, Brannigan G, Buchete NV, Deckman JT, Delemotte L, del Val C, Friedman R, Gkeka P, Hege HC, Henin J, Kasimova MA, Kolocouris A, Klein ML, Khalid S, Lemieux MJ, Lindow N, Roy M, Selent J, Tarek M, Tofoleanu F, Vanni S, Urban S, Wales DJ, Smith JC, Bondar AN. Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory. J Membrane Biol, 2015; 248 (4):611-640 . PMID: 26063070 . DOI: 10.1007/s00232-015-9802-0.

2015

Original articles in indexed journals - Integrative Biomedical Informatics

Martiny VY, Carbonell P, Chevillard F, Moroy G, Nicot AB, Vayer P, Villoutreix BO, Miteva MA. Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6. Bioinformatics, 2015 Aug 26; pii: btv486. PMID: 26315915 . DOI: 10.1093/bioinformatics/btv486.

2015

Original articles in indexed journals - Computational Science

Lazzari L, Arena S, Bellosillo B, Siravegna G, Martinez A, Canadas I, Ferruz N, Russo M, Misale S, Gonzalez I, Iglesias M, Gavilan E, Corti G, Hobor S, Crisafulli G, Salido M, Sanchez J, Dalmases A, Bellmunt J, De Fabritiis G, Rovira A, Di Nicolantonio F, Albanell J, Bardelli A, Montagut C. Emergence of multiple EGFR extracellular mutations during cetuximab treatment in colorectal cáncer. Cancer Res, 2015; 75;15: 3588 DOI: 10.1158/1538-7445.AM2015-3588 AUG 1.

2015

Original articles in indexed journals - Evolutionary Genomics

Van Dijk D, Dhar R, Missarova AM, Espinar L, Blevins WR, Lehner B, Carey LB. Slow-growing cells within isogenic populations have increased RNA polymerase error rates and DNA damage. Nat Comms, 2015; 6: 7972

2015

Original articles in indexed journals - Computational RNA Biology

Kremsky I, Bellora N, Eyras E. A Quantitative Profiling Tool for Diverse Genomic Data Types Reveals Potential Associations between Chromatin and Pre-mRNA Processing. PLoS One, 2015; 10(7): e0132448. PMID: 26207626 . DOI: 10.1371/journal.pone.0132448. eCollection 2015.

2015

Original articles in indexed journals - Computational RNA Biology

Gonzalez-Vallinas J, Pages A, Singh B, Eyras E. A semi-supervised approach uncovers thousands of intragenic enhancers differentially activated in human cells. BMC Genomics, 2015; 16. PMID: 26169177 . DOI: 10.1186/s12864-015-1704-0.

2015

Original articles in indexed journals - Structural Bioinformatics

Oliva B, Fernandez-Fuentes N. Knowledge-based modeling of peptides at protein interfaces: PiPreD. Bioinformatics, 2015; 31 (9): 1405-1410. PMID: 25540186 . DOI: 10.1093/bioinformatics/btu838 MAY 1 2015.

2015