Tools
Results 11 - 20 of about 1188
Merz Jr KM, De Fabritiis G, Wei G. JCIM Special Issue on Generative Models for Molecular Design. J Chem Inf Model, 2020; 60, 3, 1072-1072. PMID: 32118420 . DOI: 10.1021/acs.jcim.0c00180 .
2020
Pérez A, Herrera-Nieto P, Doerr S, De Fabritiis G. AdaptiveBandit: A multi-armed bandit framework for adaptive sampling in molecular simulations. arXiv:2002.12582 2020
2020
Original articles in indexed journals - Structural Bioinformatics
Jorba G, Aguirre-Plans J, Junet V, Segú-Vergés C, Ruiz JL, Pujol A, Fernández-Fuentes N, Mas JM, Oliva B. In-silico simulated prototype-patients using TPMS technology to study a potential adverse effect of sacubitril and valsartan. PLoS One, 2020; 15 (2): e0228926 . PMID: 32053711 . DOI: 10.1371/journal.pone.0228926. eCollection 2020..
2020
PhD Thesis - GPCR Drug Discovery
Stępniewski T. Unraveling the complex signaling behavior of neurotransmitters and their receptors in the brain. Universitat Pompeu Fabra. January, 9th 2020. Thesis Director: Selent J.
2020
PhD Thesis - Evolutionary Genomics
Blevins W. Evolutionary dynamics of transcriptional and translational regulation in yeast. Universitat Pompeu Fabra. January 17th, 2020. Thesis Director: Albà MM.
2020
Original articles in indexed journals - Integrative Biomedical Informatics
Ferreira S, Fisher C, Furlong LI, Laplanche L, Park BK, Pin C, Saez-Rodriguez J, Trairatphisan P. Quantitative Systems Toxicology Modeling To Address Key Safety Questions in Drug Development: A Focus of the TransQST Consortium. Chem Res Toxicol, 2020; . PMID: 31909603 . DOI: 10.1021/acs.chemrestox.9b00499.
2020
PhD Thesis - PharmacoInformatics
Pinto K. Development and Validation of Pharmacoinformatic Similarity-based Tools for the Safety Assessment of Chemicals. Universitat Pompeu Fabra. January 31st, 2020. Thesis Director: Pastor M.
2020
Original articles in indexed journals - NeuroGenomics
Franjic D, Choi J, Skarica M, Xu C, Li Q, Ma S, Tebbenkamp ATN, Santpere G et al. Molecular Diversity Among Adult Human Hippocampal and Entorhinal Cells. bioRxiv, 2020 DOI: 10.1101/2019.12.31.889139.
2020
Original articles in indexed journals - PharmacoInformatics
Escher SE*, Kamp H, Bennekou SH, Bitsch A, Fisher C, Graepel R, Hengstler JG, Herzler M, Knight D, Leist M, Norinder U, Ouédraogo G, Pastor M, Stuard S, White A, Zdrazil B, van de Water B, Kroese D. Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project. Arch Toxicol, 2019; 93(12): 3643-3667.. PMID: 31781791 . DOI: 10.1007/s00204-019-02591-7.
2019
Original articles in indexed journals - NeuroGenomics
Shibata M, Pattabiraman K, Lorente-Galdos B, Andreijevic D, Xing X et al (including Santpere G). Regulation of Prefrontal Patterning, Connectivity and Synaptogenesis by Retinoic Acid. bioRxiv 2019 DOI: 10.1101/2019.12.31.891036.
2019
