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Journal of Chemical Information and Modeling|June 27, 2020
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy BarriersWanlei Wei, Candide Champion, Stephen J Barigye, et al.Journal of Chemical Information and Modeling|October 8, 2019
Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated SystemsCandide Champion, Stephen J Barigye, Wanlei Wei, et al.Journal of Chemical Information and Modeling|March 3, 2012
Numerical errors and chaotic behavior in docking simulationsMiklos Feher, Christopher I WilliamsJournal of Chemical Information and Modeling|November 14, 2012
Numerical errors in minimization based binding energy calculationsMiklos Feher, Christopher I WilliamsJournal of Chemical Information and Modeling|August 12, 2010
Reducing docking score variations arising from input differencesMiklos Feher, Christopher I WilliamsJournal of Computer-Aided Molecular Design|December 7, 2007
The effect of numerical error on the reproducibility of molecular geometry optimizationsChristopher I Williams, Miklos FeherJournal of Chemical Information and Modeling|August 21, 2019
Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type IndependenceWanlei Wei, Candide Champion, Zhaomin Liu, et al.Journal of Chemical Information and Modeling|June 18, 2009
Effect of input differences on the results of docking calculationsMiklos Feher, Christopher I WilliamsJournal of Computer-Aided Molecular Design|October 7, 2017
Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE methodHervé Hogues, Traian Sulea, Francis Gaudreault, et al.Journal of Chemical Information and Modeling|July 2, 2016
Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding AffinitiesTraian Sulea, Victor Vivcharuk, Christopher R Corbeil, et al.Pageof 7