Results 171 - 180 of about 1076
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
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
Original articles in indexed journals - Integrative Biomedical Informatics
Perez-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