Tools




Publications

Results 51 - 60 of about 1211

PhD Thesis - Computational Science

Jiménez Luna J. Machine learning in structural biology and chemoinformatics: driving drug discovery one epoch at a time. Universitat Pompeu Fabra. October 24th, 2019. Thesis Director: De Fabritiis G.

2019

Original articles in indexed journals - Computational Science

Jiménez-Luna J, Pérez-Benito L, Martínez-Rosell G, Sciabola S, Torella R, Tresadern G, De Fabritiis G. DeltaDelta neural networks for lead optimization of small molecule potency. Chem Sci, 2019; 10 (47): 10911-10918 DOI: 10.1039/C9SC04606B.

2019

Original articles in indexed journals - NeuroGenomics

Giusti-Rodríguez P, Lu L, Yang Y, Crowley CA, Liu X, Bryois J, Juric I et al (including Santpere G). Schizophrenia and a high-resolution map of the three-dimensional chromatin interactome of adult and fetal cortex. bioRxiv, 2019 DOI: 10.1101/406330.

2019

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 Sep 10;. 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



Site Information