Bioorganic Chemistry · 2020 · 14 citations · 36 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryEnzymologyStructure-activity RelationshipsEnzyme DiscoveryEnzyme InhibitionLigand-based DesignPotency OptimizationQuantitative Structure-activity RelationshipsStructure-activity Relationship AnalysisBiological Evaluation ReportChemical Enzyme InhibitorsEnzyme Inhibitor DiscoveryEnzyme Inhibitor SynthesisMechanism-based InhibitorsThiadiazole ChemistryThiazole ChemistryThiazole Synthesis
36
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
The Amber biomolecular simulation programs
David A. Case, Thomas E. Cheatham, Tom Darden et al. · Journal of Computational Chemistry · 2005 · 9.6K citations · Full text