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Results 141 - 150 of about 1338
Original articles in indexed journals - GPCR Drug Discovery
Dwivedi-Agnihotri H, Chaturvedi M, Baidya M, Stepniewski TM, Pandey S, Maharana J, Srivastava A, Caengprasath N, Hanyaloglu AC, Selent J, Shukla AK. Distinct phosphorylation sites in a prototypical GPCR differently orchestrate beta-arrestin interaction, trafficking, and signaling. Sci Adv, 2020; 6 (37): eabb8368. PMID: 32917711 . DOI: 10.1126/sciadv.abb8368.
2020
Original articles in indexed journals - Integrative Biomedical Informatics
Besso MJ, Montivero L, Lacunza E, Argibay MC, Abba M, Furlong LI, Colas E, Gil-Moreno A, Reventos J, Bello R, Vazquez-Levin MH. Identification of early stage recurrence endometrial cancer biomarkers using bioinformatics tools. Oncol Rep, 2020; 44(3): 873-886. PMID: 32705231 . DOI: 10.3892/or.2020.7648.
2020
Other - Structural Bioinformatics
Meseguer A, Arman F, Fornes O, Molina-Fernández R, Bonet J, Fernandez-Fuentes N, Oliva B. On the prediction of DNA-binding preferences of C2H2-ZF domains using structural models: application on human CTCF. NAR Genom Bioinform, 2020; 2(3): lqaa046. PMID: 33575598 . DOI: 10.1093/nargab/lqaa046.
2020
Original articles in indexed journals - GPCR Drug Discovery
Baidya M, Kumari P, Dwivedi-Agnihotri H, Pandey S, Chaturvedi M, Stepniewski T, Kawakami K, Cao Y, Laporte SA, Selent J, Inoue A, Shukla AK. Key phosphorylation sites in GPCRs orchestrate the contribution of ?-Arrestin 1 in ERK1/2 activation. Embo Rep, 2020; e49886. PMID: 32715625 . DOI: 10.15252/embr.201949886.
2020
Original articles in indexed journals - Computational Science
Herrera-Nieto P, Pérez A, De Fabritiis G. Characterization of partially ordered states in the intrinsically disordered N-terminal domain of p53 using millisecond molecular dynamics simulations. Sci Rep, 2020;10(1): 12402. PMID: 32709860 . DOI: 10.1038/s41598-020-69322-2.
2020
Original articles in indexed journals - Computational Science
Herrera-Nieto P, Pérez A, De Fabritiis G. Small Molecule Modulation of Intrinsically Disordered Proteins Using Molecular Dynamics Simulations. J Chem Inf Model, 2020; 60:10; 5003-5010. PMID: 32786705 . DOI: 10.1021/acs.jcim.0c00381.
2020
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
