Original articles in indexed journals - Computational Science

Harvey MJ, De Fabritiis G. High-throughput molecular dynamics: The powerful new tool for drug discovery. Drug Discovery Today, 2012; 17(19-20):1059-62. PMID: 22504137 . DOI: 10.1016/j.drudis.2012.03.017.

2012

Original articles in indexed journals - Systems Pharmacology

Antolín AA, Jalencas X, Yélamos J, Mestres J. Identification of Pim Kinases as Novel Targets for PJ34 with Confounding Effects in PARP Biology. ACS Chem Biol, 2012; 7 (12); 1962–1967. PMID: 23025350 . DOI: 10.1021/cb300317y.

2012

Original articles in indexed journals - Integrative Biomedical Informatics

Van Mulligen EM, Fourrier-Reglat A, Gurwitz D, Molokhia M, Nieto A, Trifiro G, Kors JA, Furlong LI. The EU-ADR corpus: Annotated drugs, diseases, targets, and their relationships. J Biomed Inform, 45 (5):879-884 . PMID: 22554700 . DOI: 10.1016/j.jbi.2012.04.004.

2012

Original articles in indexed journals - Computational Genomics - group

Ng S, Collisson EA, Sokolov A, Goldstein T, Gonzalez-Perez A, Lopez-Bigas N, Benz C, Haussler D, Stuart JM. PARADIGM-SHIFT predicts the function of mutations in multiple cancers using pathway impact analysis. Bioinformatics, 2012; 15;28(18): i640-i646. PMID: 22962493 . DOI: 10.1093/bioinformatics/bts402.

2012

Original articles in indexed journals - PharmacoInformatics - GPCR Drug Discovery

Kaczor AA, Guixà-González R, Carrió P, Obiol-Pardo C, Pastor M, Selent J. Fractal dimension as a measure of surface roughness of G protein-coupled receptors: implications for structure and function. J Mol Model, 2012; 18 (9):4465-4475 . PMID: 22643967 . DOI: 10.1007/s00894-012-1431-2.

2012

Original articles in indexed journals - Computational Science

Harvey MJ, De Fabritiis G. A Survey of Computational Molecular Science using Graphics Processing Units. WIREs Comput Mol Sci, 2012; 2: 734-742 DOI: 10.1002/wcms.1101.

2012

Original articles in indexed journals - Structural Bioinformatics

Wright RH, Castellano G, Bonet J, Le Dily F, Font-Mateu J, Ballaré C, Nacht AS, Soronellas D, Oliva B, Beato M. CDK2-dependent activation of PARP-1 is required for hormonal gene regulation in breast cancer cells. Genes Dev, 2012; 26(17):1972-83 . PMID: 22948662 . DOI: 10.1101/gad.193193.112.

2012

Original articles in indexed journals - Structural Bioinformatics

Martinez-Hoyer S, Aranguren-Ibanez A, Garcia-Garcia J, Serrano-Candelas E, Vilardell J, Oliva B, Orzaez, M, Perez-Paya E, Itarte E, Perez-Riba M. Phosphorylation of RCAN proteins by protein kinase CK2 enhances their inhibitory role towards the calcineurin-NFATc signaling pathway. Febs Journal, 2012; 279 160-160; 1 SI

2012

Original articles in indexed journals - Structural Bioinformatics

Aranguren-Ibanez A, Martinez-Hoyer S, Orzaez M, Garcia-Garcia J, Serrano-Candelas E, Sole-Sanchez S, Vilardell J, Oliva B, Itarte E, Perez-Riba M. Phosphorylation of Ser 203 of RCAN3 increases its binding affinity to CnA. Febs J, 2012; 279 153-153; 1 SI

2012

Original articles in indexed journals - Systems Pharmacology

Baumann K, Ecker, GF, Mestres J, Schneider G. Editorial: Molecular Informatics Gaining Impact. Mol Inf, 2012; 31 (9):615-615. DOI: 10.1002/minf.201280931.

2012