Original articles in indexed journals - GPCR Drug Discovery

Torrens-Fontanals M, Stepniewski TM, Aranda-García D, Morales-Pastor A, Medel-Lacruz B, Selent J. How Do Molecular Dynamics Data Complement Static Structural Data of GPCRs. Int J Mol Sci, 2020; 21(16):5933. PMID: 32824756 . DOI: 10.3390/ijms21165933.

2020

Original articles in indexed journals - Computational Science

Pérez A, Herrera-Nieto P, Doerr S, De Fabritiis G. AdaptiveBandit: A multi-armed bandit framework for adaptive sampling in molecular simulations. J Chem Theory Comput, 2020; 16(7): 4685-4693. PMID: 32539384 . DOI: 10.1021/acs.jctc.0c00205.

2020

Original articles in indexed journals - PharmacoInformatics

Krebs A, van Vugt-Lussenburg BMA, Waldmann T et al (including Pastor M). The EU-ToxRisk method documentation, data processing and chemical testing pipeline for the regulatory use of new approach methods. Arch Toxicol, 2020. PMID: 32632539 . DOI: https://doi.org/10.1007/s00204-020-02802-6.

2020

Original articles in indexed journals - Integrative Biomedical Informatics

Leis A, Mayer MA, Ronzano F, Torrens M, Castillo C, Furlong LI, Sanz F. Clinical-Based and Expert Selection of Terms Related to Depression for Twitter Streaming and Language Analysis. Stud Health Technol Inform, 2020; 270: 921-925. PMID: 32570516 . DOI: 10.3233/SHTI200296.

2020

Original articles in indexed journals - Systems Pharmacology

Johnson C, Ahlberg E, Anger LT et al (including Mestres J). Skin sensitization in silico protocol. Regul Toxicol Pharmacol, 2020; 116:104688. PMID: 32621976 . DOI: 10.1016/j.yrtph.2020.104688.

2020

Original articles in indexed journals - Integrative Biomedical Informatics - Computational Science - GPCR Drug Discovery

Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS et al (including Selent J, Sanz F, de Fabritiis G). GPCRmd uncovers the dynamics of the 3D-GPCRome. Nat Methods, 2020; 17(8): 777-787. PMID: 32661425 . DOI: 10.1038/s41592-020-0884-y  .

2020

Original articles in indexed journals - NeuroGenomics

Werling DM, Pochareddy S, Choi J, An JY, Sheppard B, Peng M, Li Z, Dastmalchi C, Santpere G et al. Whole-Genome and RNA Sequencing Reveal Variation and Transcriptomic Coordination in the Developing Human Prefrontal Cortex. Cell Rep, 2020; 31(1): 107489. PMID: 32268104 . DOI: 10.1016/j.celrep.2020.03.053.

2020

Original articles in indexed journals - Integrative Biomedical Informatics

Salgado D, Armean IM, Baudis M, Beltran S, Capella-Gutierrez S, Carvalho-Silva D, Dominguez Del Angel V, Dopazo J, Furlong LI, Gao B, Garcia L, Gerloff D, Gut I, Gyenesei A, Habermann N, Hancock JM, Hanauer M, Hovig E, Johansson LF, Keane T, Korbel J, Lauer KB, Laurie S, Leskošek B, Lloyd D, Marques-Bonet T, Mei H, Monostory K, Piñero J, Poterlowicz K, Rath A, Samarakoon P, Sanz F, Saunders G, Sie D, Swertz MA, Tsukanov K, Valencia A, Vidak M, Yenyxe González C, Ylstra B, Béroud C. The ELIXIR Human Copy Number Variations Community: building bioinformatics infrastructure for research. F1000Res, 2020; 9:ELIXIR-1229 . PMID: 34367618 . DOI: 10.12688/f1000research.24887.1.

2020

Original articles in indexed journals - Integrative Biomedical Informatics

Ostaszewski M, Mazein A, Gillespie ME, Kuperstein I, Niarakis A, Hermjakob H, Pico AR, Willighagen EL, Evelo CT, Hasenauer J, Schreiber F, Dräger A, Demir E, Wolkenhauer O, Furlong LI, Barillot E, Dopazo J, Orta-Resendiz A, Messina F, Valencia A, Funahashi A, Kitano H, Auffray C, Balling R, Schneider R. COVID-19 Disease Map, building a computational repository of SARS-CoV-2 virus-host interaction mechanisms. Sci Data, 2020; 7 (1): 136. PMID: 32371892 . DOI: 10.1038/s41597-020-0477-8.

2020

Original articles in indexed journals - Computational Science

Varela-Rial A, Majewski M, Cuzzolin A, Martinez-Rosell G, De Fabritiis G. SkeleDock: A Web Application for Scaffold Docking in PlayMolecule. J Chem Inf Model, 2020; 60(6): 2673-2677. PMID: 32407111 . DOI: 10.1021/acs.jcim.0c00143.

2020