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Science Translational Medicine|October 4, 2013
High-throughput methods for combinatorial drug discoveryXiaochen Sun, Santiago Vilar, Nicholas P TatonettiScientific Reports|March 7, 2015
3D pharmacophoric similarity improves multi adverse drug event identification in pharmacovigilanceSantiago Vilar, Nicholas P Tatonetti, George HripcsakCurrent Medicinal Chemistry|December 1, 2017
In Silico Prediction of P-glycoprotein Binding: Insights from Molecular Docking StudiesSantiago Vilar, Eduardo Sobarzo-Sánchez, Eugenio UriarteJournal of Molecular Biology|March 29, 2003
Local secondary structure content predicts folding rates for simple, two-state proteinsHaipeng Gong, Daniel G Isom, Rajgopal Srinivasan, et al.Biorxiv : the Preprint Server for Biology|June 5, 2026
Proton-gating of opioid receptors and isoform functionalityKyutae D Lee, Gorav Surana, Sam Taylor, et al.Journal of Molecular Graphics & Modelling|February 22, 2011
In silico analysis of the binding of agonists and blockers to the β2-adrenergic receptorSantiago Vilar, Joel Karpiak, Barkin Berk, et al.Journal of Chemical Information and Computer Sciences|October 16, 2002
In silico studies toward the discovery of new anti-HIV nucleoside compounds with the use of TOPS-MODE and 2D/3D connectivity indices. 1. Pyrimidyl derivativesErnesto Estrada, Santiago Vilar, Eugenio Uriarte, et al.Current Medicinal Chemistry|November 8, 2017
Ligand and Structure-based Modeling of Passive Diffusion through the Blood-Brain BarrierSantiago Vilar, Eduardo Sobarzo-Sanchez, Lourdes Santana, et al.Proceedings of the National Academy of Sciences of the United States of America|March 3, 2010
Picomole-scale characterization of protein stability and function by quantitative cysteine reactivityDaniel G Isom, Eyal Vardy, Terrence G Oas, et al.Clinical & Translational Oncology : Official Publication of the Federation of Spanish Oncology Societies and of the National Cancer Institute of Mexico|March 23, 2011
Mechanism of hot flashesSantiago Vilar-González, Alberto Pérez-Rozos, Ruben Cabanillas-FarpónPageof 11