Original articles in indexed journals - Computational Science

Galvelis R, Doerr S, Damas JM, Harvey M, De Fabritiis G. PlayMolecule Parameterize: a Scalable Molecular Force Field Parameterization Method Based on Quantum-Level Machine Learning. J Chem Inf Model, 2019. PMID: 31322877 . DOI: 10.1021/acs.jcim.9b00439.

2019

Original articles in indexed journals - GPCR Drug Discovery

Karoussiotis C, Martí-Solano M, Stepniewski T, Symeonof A, Selent J, Georgoussi Z. A highly conserved δ‐opioid receptor region determines RGS4 interaction. FEBS J, 2019. PMID: 31386272 . DOI: 10.1111/febs.15033.

2019

Original articles in indexed journals - Integrative Biomedical Informatics

Leis A, Ronzano F, Mayer MA, Furlong LI, Sanz F. Detecting Signs of Depression in Tweets in Spanish: Behavioral and Linguistic Analysis. J Med Internet Res, 2019; 21(6): e14199. . PMID: 31250832 . DOI: 10.2196/14199.

2019

Original articles in indexed journals - Systems Pharmacology

Dyballa S, Miñana R, Rubio-Brotons M, Cornet C, Pederzani T, Escaramis G, Garcia-Serna R, Mestres J, Terriente J. Comparison of zebrafish larvae and hiPSC cardiomyocytes for predicting drug induced cardiotoxicity in humans. Toxicol Sci, 2019. PMID: 31359052 . DOI: 10.1093/toxsci/kfz165.

2019

Reviews in indexed journals - PharmacoInformatics

Delp J, et al. (including Pastor M.) Corrigendum to A high-throughput approach to identify specific neurotoxicants / developmental toxicants in human neuronal cell function assays. ALTEX, 2019; 36 (3), 505. PMID: 31329253 . DOI: 10.14573/altex.1904111.

2019

Original articles in indexed journals - Integrative Biomedical Informatics

Pérez-Granado J, Piñero J, Furlong LI. ResMarkerDB: a database of biomarkers of response to antibody therapy in breast and colorectal cancer. Database, 2019; baz060 DOI: 10.1093/database/baz060.

2019

Original articles in indexed journals - Computational Science

Landin EJ, Lovera S, de Fabritiis G, Kelm S, Mercier J, MacMillan D, Sessions R, Taylor R, Sands ZA, Joedicke L, Crump MP. The Aminotriazole Antagonist Cmpd-1 Stabilises a Novel Inactive State of the Adenosine 2A Receptor. Angew Chem Int Ed Engl, 2019; 58(28): 9399- 9403. PMID: 31095849 . DOI: 10.1002/anie.201902852.

2019

Original articles in indexed journals - Systems Pharmacology

Bofill A, Jalencas X, Oprea TI, Mestres J. The human endogenous metabolome as a pharmacology baseline for drug discovery. Drug Discovery Today, 2019; pii: S1359-6446 (19) 30104- 7. PMID: 31226432 . DOI: 10.1016/ j.drudis.2019.06.007.

2019

Original articles in indexed journals - Structural Bioinformatics

Picón-Pagès P, Bonet J, García-García J, Garcia-Buendia J, Gutierrez D, Valle J, Gómez-Casuso CES, Sidelkivska V, Alvarez A, Perálvarez-Marín A, Suades A, Fernàndez-Busquets X, Andreu D, Vicente R, Oliva B, Muñoz FJ. Human Albumin Impairs Amyloid beta-peptide Fibrillation Through its C-terminus: From docking Modeling to Protection Against Neurotoxicity in Alzheimer's disease. Comput Struct Biotechnol J, 2019; 17: 963-971  . PMID: 31360335 . DOI: 10.1016/j.csbj.2019.06.017.

2019

Original articles in indexed journals - Evolutionary Genomics

​Blevins WR, Carey LB, Albà MM. Transcriptomics data of 11 species of yeast identically grown in rich media and oxidative stress conditions. BMC Res Notes​,​ 2019; 12 (1): 250. PMID: 31053168 . DOI: 10.1186/ s13104-019-4286-0.

2019