Theoretical Chemistry Accounts · 2013 · 13 citations · 55 references
Natural SciencesBiophysicsPharmacologyBiomolecular ModelingBiophysical ChemistryComputational ChemistryBinding ThermodynamicsLigand BindingMolecular DockingMolecular DynamicsProtein-ligand DockingTopoisomerase InhibitorsBinding Energy LandscapeDna Topoisomerase I InhibitionMolecular Docking Of InhibitorsProtein-ligand Binding DynamicsProtein-ligand Binding Free Energy CalculationsProtein-ligand Complex ModelingTopoisomerase ActivityTopoisomerase I Inhibitors
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Development and testing of a general amber force field
Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations