Biophysical Chemistry · 2009 · 29 citations · 22 references
PharmacyMedicinal ChemistryMolecular BiologyDrug DesignDrug DiscoveryStructural BiologyHomology ModelingMolecular DockingMolecular DynamicsMolecular ModelingProtein StructureProtein-ligand DockingDocking-based Drug DesignHomologyLigand-protein DockingMolecular Docking Of InhibitorsProtein-ligand Complex ModelingProtein-protein-ligand DockingSmall-molecule Docking
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Scalable molecular dynamics with NAMD
J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text