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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 - Computational Biophysics

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 - Computational Biophysics

Plattner N, Doerr S, De Fabritiis G, Noé F. Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling. Nat Chem, 2017 DOI: 10.1038/NCHEM.2785.

2017

Original articles in indexed journals - Functional Genomics

Roverato A, Castelo R. The networked partial correlation and its application to the analysis of genetic interactions.J R STAT SOC C-APPL, 2017; 66 : 3: 647-665 DOI: 10.1111/rssc.12166.

2017

Original articles in indexed journals - PharmacoInformatics

Nyffeler J, Dolde X, Krebs A, Pinto-Gil K, Pastor M, Behl M, Waldmann T, Leist M. Combination of multiple neural crest migration assays to identify environmental toxicants from a proof‑of‑concept chemical library. Arch Toxicol, 2017 . PMID: 28477266 . DOI: 10.1007/s00204-017-1977-y.

2017

Original articles in indexed journals - Integrative Biomedical Informatics

Matos ML, Lapyckyj L, Rosso M, Besso MJ, Mencucci MV, Briggiler CI, Giustina S, Furlong LI, Vazquez-Levin MH. Identification of a Novel Human E-Cadherin Splice Variant and Assessment of Its Effects Upon EMT-Related Events. J Cell Physiol, 2017; 232 (6): 1368-1386. . PMID: 27682981 . DOI: 10.1002/jcp.25622. Epub 2016 Dec 29..

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 . PMID: 28467807 . DOI: 10.18632/oncotarget.17074.

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 . PMID: 28444482 . DOI: 10.1007/s11030-017-9738-7.

2017

Original articles in indexed journals - Computational Biophysics

Martínez-Rosell G, Giorgino T, Harvey MJ, de Fabritiis G. Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale. Curr Top Med Chem, 2017 . PMID: 28413955 . DOI: 10.2174/1568026617666170414142549.

2017

Original articles in indexed journals - Integrative Biomedical Informatics

Gomez-Rubio P, Rosato V, Marquez M, Bosetti C, Molina-Montes E, Rava M, Piñero J, Michalski CW, Farré A, Molero X, Löhr M, Ilzarbe L, Perea J, Greenhalf W, O'Rorke M, Tardón A, Gress T, Barberà VM, Crnogorac-Jurcevic T, Muñoz-Bellvís L, Domínguez-Muñoz E, Gutiérrez-Sacristán A, Balsells J, Costello E, Guillén-Ponce C, Huang J, Iglesias M, Kleeff J, Kong B, Mora J, Murray L, O'Driscoll D, Peláez P, Poves I, Lawlor RT, Carrato A, Hidalgo M, Scarpa A, Sharp L, Furlong LI, Real FX, La Vecchia C, Malats N, PanGenEU Study Investigators. A systems approach identifies time-dependent associations of multimorbidities with pancreatic cancer risk. Ann Oncol, 2017 . PMID: 28383714 .

2017



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