Journal of Molecular Structure · 2024 · 25 citations · 43 references
PharmacyMedicinal ChemistryPharmacologyComputational Medicinal ChemistryDrug DesignStructure-activity RelationshipsAntifungal PharmacologyBiomolecular InteractionsBiomolecular InterfacesLigand BindingLigand-based DesignMolecular ModelingBiomedical ApplicationsCandida Albicans InfectionMechanism-based Drug DesignMedicinal Chemistry ApplicationsMolecular Property-based DesignMolecular Simulation AlgorithmsMolecular Simulation AnalysisStructure-based Ligand Design
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13