Medicinal Chemistry Research · 2016 · 29 citations · 29 references
MedicineMedicinal ChemistryPharmacologyComputational ChemistryNeuropharmacologyStructure-activity RelationshipsDrug-receptor InteractionsGabaergic PharmacologyLigand BindingReceptor BindingReceptor ModelingReceptor PharmacologyBinding Mode AnalysisBinding Mode OptimizationBinding Mode PredictionGaba AgonistsGaba AntagonistsGaba Receptor Subunit PharmacologyGaba-a Receptor PharmacologyGabaergic Drug Discovery
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VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
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A smooth particle mesh Ewald method
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