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Journal of Chemical Information and Modeling|April 20, 2023
Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free EnergyFarzad Molani, Simon Webb, Art E ChoCommunications Chemistry|October 29, 2024
Accurate protein-ligand binding free energy estimation using QM/MM on multi-conformers predicted from classical mining minimaFarzad Molani, Art E ChoInorganic Chemistry|June 10, 2024
Photocatalytic Conversion of CO2 to Formate/CO by an (η6-para-Cymene)Ru(II) Half-Metallocene Catalyst: Influence of Additives and TiO2 Immobilization on the Catalytic Mechanism and Product SelectivityDaehan Lee, Farzad Molani, Min Su Choe, et al.Journal of Molecular Modeling|January 27, 2015
Computational study of interaction of alkali metals with C3N nanotubesFarzad Molani, Seifollah Jalili, Jeremy SchofieldJournal of Ginseng Research|October 13, 2017
Using reverse docking to identify potential targets for ginsenosidesKichul Park, Art E ChoPhysical Chemistry Chemical Physics : PCCP|October 7, 2016
Incorporating QM and solvation into docking for applications to GPCR targetsMinsup Kim, Art E ChoJournal of Computational Chemistry|April 18, 2009
Extension of QM/MM docking and its applications to metalloproteinsArt E Cho, David RinaldoScientific Reports|November 10, 2016
The role of water molecules in stereoselectivity of glucose/galactose-binding proteinMinsup Kim, Art E ChoJournal of the American Chemical Society|July 21, 2009
How a single-point mutation in horseradish peroxidase markedly enhances enantioselectivityEugene Antipov, Art E Cho, Alexander M KlibanovJournal of Chemical Information and Modeling|December 1, 2012
Elucidation of allosteric inhibition mechanism of 2-Cys human peroxiredoxin by molecular modelingMinsup Kim, Keun Woo Lee, Art E ChoPageof 7