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Human Genomics|December 17, 2004
Genome-wide characterisation of the binding repertoire of small molecule drugsLee Makowski, Diane J RodiJournal of Chemical Information and Modeling|February 29, 2024
On Inactivation of the Coronavirus Main ProteaseHong Ha Nguyen, Jim Tufts, David D L MinhJournal of Chemical Information and Modeling|May 20, 2026
Absolute Binding Free Energy Calculations between the SARS-CoV-2 Main Protease and 130 Drug Leads Using Implicit Ligand TheoryHong Ha Nguyen, Bing Xie, David D L MinhThe Journal of Chemical Physics|December 21, 2023
Learned mappings for targeted free energy perturbation between peptide conformationsSoohaeng Yoo Willow, Lulu Kang, David D L MinhJournal of Chemical Information and Modeling|August 17, 2018
Efficiency of Stratification for Ensemble Docking Using Reduced EnsemblesBing Xie, John D Clark, David D L MinhJournal of Chemical Theory and Computation|April 22, 2017
Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor ConfigurationsBing Xie, Trung Hai Nguyen, David D L MinhJournal of Computational Chemistry|December 11, 2019
On Restraints in End-Point Protein-Ligand Binding Free Energy CalculationsWilliam M Menzer, Bing Xie, David D L MinhThe Journal of Chemical Physics|October 24, 2007
Accelerated entropy estimates with accelerated dynamicsDavid D L Minh, Donald Hamelberg, J Andrew McCammonJournal of Applied Crystallography|February 23, 2011
SoftWAXS: a computational tool for modeling wide-angle X-ray solution scattering from biomoleculesJaydeep Bardhan, Sanghyun Park, Lee MakowskiProteins|November 3, 2015
Visualizing global properties of a molecular dynamics trajectoryHao Zhou, Shangyang Li, Lee MakowskiPageof 14