Journal of Molecular Biology · 1997 · 96 citations · 28 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryStructural BiologyStructure-activity RelationshipsEnzyme InhibitionLigand BindingMolecular DockingProtein-ligand DockingStructural ElucidationStructure-activity Relationship AnalysisModel Structure IdentificationProtein-ligand Pharmacophore AlignmentStructure-based Lead DiscoveryStructure-based Lead IdentificationStructure-based Ligand Design
28
A geometric approach to macromolecule-ligand interactions
Irwin D. Kuntz, Jeffrey M. Blaney, Stuart J. Oatley et al. · Journal of Molecular Biology · 1982 · 2.3K citations
Rational design of potent sialidase-based inhibitors of influenza virus replication
Mark von Itzstein, Wen‐Yang Wu, Gaik B. Kok et al. · Nature · 1993 · 1.9K citations