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Biophysical Journal|June 14, 2020
Improving the Accuracy of Protein Thermostability Predictions for Single Point MutationsJianxin Duan, Dmitry Lupyan, Lingle WangJournal of Chemical Information and Modeling|December 9, 2025
Toward Automated Physics-Based Absolute Drug Residence Time PredictionsZachary Smith, Davide Branduardi, Dmitry Lupyan, et al.Journal of Chemical Information and Modeling|August 20, 2019
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding KineticsHaoyu S Yu, Cen Gao, Dmitry Lupyan, et al.Protein Science : a Publication of the Protein Society|December 27, 2022
Target-template relationships in protein structure prediction and their effect on the accuracy of thermostability calculationsMuyun Lihan, Dmitry Lupyan, Daniel OehmeJournal of Chemical Information and Modeling|January 30, 2025
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting LigandsAra M Abramyan, Anna Bochicchio, Chuanjie Wu, et al.Journal of Computer-Aided Molecular Design|October 12, 2012
Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generationDmitry Lupyan, Yuriy A Abramov, Woody ShermanJournal of Molecular Biology|December 15, 2016
Predicting the Effect of Amino Acid Single-Point Mutations on Protein Stability-Large-Scale Validation of MD-Based Relative Free Energy CalculationsThomas Steinbrecher, Chongkai Zhu, Lingle Wang, et al.The Journal of Physiology|May 15, 2007
Diverse Kir modulators act in close proximity to residues implicated in phosphoinositide bindingDiomedes E Logothetis, Dmitry Lupyan, Avia Rosenhouse-DantskerBioinformatics (Oxford, England)|June 9, 2005
A new progressive-iterative algorithm for multiple structure alignmentDmitry Lupyan, Alejandra Leo-Macias, Angel R OrtizBiophysical Journal|March 27, 2010
A molecular dynamics investigation of lipid bilayer perturbation by PIP2Dmitry Lupyan, Mihaly Mezei, Diomedes E Logothetis, et al.Pageof 10