Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Llopis J, Cano J, Gomis-Tena J, Romero L, Sanz F, Pastor M, Trenor B, Saiz J. In silico assay for preclinical assessment of drug proarrhythmicity. J Pharmacol Toxicol Methods, 2019 ;99: 106595. PMID: 31962986 . DOI: 10.1016/j.vascn.2019.05.106.

2019

Original articles in indexed journals - Systems Pharmacology

Olivés J, Mestres J. Closing the Gap between Therapeutic Use and Mode of Action in Remedial Herbs. Front Pharmacol, 2019; 10: 1132. PMID: 31632273 . DOI: 10.3389/fphar.2019.01132.

2019

Original articles in indexed journals - Computational Science

Skalic M, Sabbadin D, Sattarov B, Sciabola S, De Fabritiis G. From Target to Drug: Generative Modeling for Multimodal Structure-Based Ligand Design. Mol Pharm. 2019; 16(10): 4282-4291. PMID: 31437001 . DOI: 10.1021/acs.molpharmaceut.9b00634.

2019

Original articles in indexed journals - GPCR Drug Discovery

Ghosh E, Dwivedi H, Baidya M, Srivastava A, Kumari P, Stepniewski T, Kim HR, Lee MH, van Gastel J, Chaturvedi M, Roy D, Pandey S, Maharana J, Guixà-González R, Luttrell LM, Chung KY, Dutta S, Selent J, Shukla AK. Conformational Sensors and Domain Swapping Reveal Structural and Functional Differences between β-Arrestin Isoforms. Cell Rep 2019; 28(13): 3287-3299.e6. PMID: 31553900 . DOI: 10.1016/j.celrep.2019.08.053.

2019

Original articles in indexed journals - GPCR Drug Discovery

Abraham MJ, Apostolov RP, Barnoud J, Bauer P, Blau C, Bonvin AMJJ, Chavent M, Chodera JD, Condic-Jurkic K, Delemotte L, Grubmüller H, Howard RJ, Jordan EJ, Lindal E, Ollila OHS, Selent J, Smith DGA, Stansfeld PJ, Tiemann JKS, Trellet M, Woods CJ, Zhmurov A. Sharing Data from Molecular Simulations. J Chem Inf Model. 2019. PMID: 31525920 . DOI: 10.1021/acs.jcim.9b00665.

2019

Original articles in indexed journals - NeuroGenomics

Bensaid M, Loe-Mie Y, Lepagnol-Bestel AM, Han W, Santpere G, Klarić T et al. Multi-hit autism genomic architecture evidenced from consanguineous families with involvement of FEZF2 and mutations in high-risk genes. bioRxiv, 2019 DOI: 10.1101/759480.

2019

Original articles in indexed journals - Structural Bioinformatics

Resa-Infante P, Bonet J, Thiele S, Alawi M, Stanelle-Bertram S, Tuku B, Beck S, Oliva B, Gabriel G. Alternative interaction sites in the influenza A virus nucleoprotein mediate viral escape from the importin-α7 mediated nuclear import pathway. FEBS J, 2019; 286(17):3374-3388. PMID: 31044563 . DOI: 10.1111/febs.14868.

2019

Original articles in indexed journals - Computational Science

Galvelis R, Doerr S, Damas JM, Harvey M, De Fabritiis G. A Scalable Molecular Force Field Parameterization Method Based on Quantum-Level Machine Learning. J Chem Inf Model, 2019; 59:8; 3485-3493. 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