Tools
Results 131 - 140 of about 1075
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
Original articles in indexed journals - Systems Pharmacology
Mestres J. The target landscape of N4-hydroxycytidine based on its chemical neighborhood. bioRxiv, 2020 DOI: 10.1101/2020.03.30.016485.
2020
