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Journal of Computer-Aided Molecular Design|November 26, 2021
Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse dockingSergio R Ribone, S Alexis Paz, Cameron F Abrams, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Free energy and hidden barriers of the β-sheet structure of prion proteinS Alexis Paz, Cameron F Abrams
Journal of Chemical Theory and Computation|March 24, 2018
Effect of Intercalated Water on Potassium Ion Transport through Kv1.2 Channels Studied via On-the-Fly Free-Energy ParametrizationS Alexis Paz, Luca Maragliano, Cameron F Abrams
Chemical Science|April 29, 2017
Polymorphism at 129 dictates metastable conformations of the human prion protein N-terminal β-sheetS Alexis Paz, Eric Vanden-Eijnden, Cameron F Abrams
Methods in Molecular Biology (Clifton, N.J.)|August 7, 2026
In Silico Methodology for Human Carboxylesterases 1 and 2 Isoforms Substrate Selectivity StudySergio R Ribone
Journal of Xenobiotics|January 21, 2026
Experimental and In Silico Approaches to Study Carboxylesterase Substrate SpecificitySergio R Ribone, Mario Alfredo Quevedo
Journal of Molecular Graphics & Modelling|June 6, 2017
Structural basis for the potent inhibition of the HIV integrase-LEDGF/p75 protein-protein interactionSergio R Ribone, Mario A Quevedo
The Journal of Chemical Physics|January 6, 2006
Concurrent dual-resolution Monte Carlo simulation of liquid methaneCameron F Abrams
Biochimica Et Biophysica Acta. Proteins and Proteomics|April 10, 2025
Exploring human carboxylesterases 1 and 2 selectivity of two families of substrates at an atomistic levelSergio R Ribone, Dario A Estrin, Mario A Quevedo
Journal of Molecular Graphics & Modelling|July 16, 2014
Development of a receptor model for efficient in silico screening of HIV-1 integrase inhibitorsMario A Quevedo, Sergio R Ribone, Margarita C Briñón, et al.
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