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Journal of Chemical Theory and Computation|December 1, 2015
Rapid Prediction of Solvation Free Energy. 1. An Extensive Test of Linear Interaction Energy (LIE)Traian Sulea, Christopher R Corbeil, Enrico O PurisimaJournal of Chemical Theory and Computation|December 1, 2015
Rapid Prediction of Solvation Free Energy. 2. The First-Shell Hydration (FiSH) Continuum ModelChristopher R Corbeil, Traian Sulea, Enrico O PurisimaAngewandte Chemie (International Ed. in English)|September 30, 2015
Understanding P450-mediated Bio-transformations into Epoxide and Phenolic MetabolitesAnna Tomberg, Joshua Pottel, Zhaomin Liu, et al.Physical Chemistry Chemical Physics : PCCP|November 23, 2006
An ab initio investigation of zinc chloro complexesCory C Pye, Christopher R Corbeil, Wolfram W RudolphMabs|October 11, 2021
Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeuticsNels Thorsteinson, John R Gunn, Kenneth Kelly, et al.Journal of Chemical Information and Modeling|December 19, 2017
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small MoleculesZhaomin Liu, Stephen J Barigye, Moeed Shahamat, et al.Frontiers in Immunology|June 20, 2022
Coevolved Canonical Loops Conformations of Single-Domain Antibodies: A Tale of Three Pockets Playing Musical ChairsFrancis Gaudreault, Christopher R Corbeil, Enrico O Purisima, et al.Methods in Molecular Biology (Clifton, N.J.)|November 8, 2022
Optimizing Antibody-Antigen Binding Affinities with the ADAPT PlatformTraian Sulea, Christophe Deprez, Christopher R Corbeil, et al.Journal of Computational Chemistry|July 8, 2011
Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactionsNathanael Weill, Christopher R Corbeil, Joris W De Schutter, et al.Journal of Chemical Information and Modeling|March 31, 2016
Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput MannerZhaomin Liu, Joshua Pottel, Moeed Shahamat, et al.Pageof 7