Concepedia
Bioorganic Chemistry · 2017 · 37 citations · 44 references
Open access
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsEnzyme InhibitionHeterocyclic ChemistryLead Compound DesignLigand-based DesignStructure-activity Relationship AnalysisOxadiazole Chemistry
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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations
Natural Sciences, Chemistry, Physics +17
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
Thomas A. Halgren, Robert B. Murphy, Richard A. Friesner et al. · Journal of Medicinal Chemistry · 2004 · 5.2K citations
Pharmacy, Bioinformatics, Medicinal Chemistry +17
Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field
Devleena Shivakumar, Joshua Williams, Yujie Wu et al. · Journal of Chemical Theory and Computation · 2010 · 1.9K citations
Natural Sciences, Chemistry, Medicinal Chemistry +17
Beta glucuronidase deficiency: Report of clinical, radiologic, and biochemical features of a new mucopolysaccharidosis
William S. Sly, Barbara A. Quinton, William H. McAlister et al. · The Journal of Pediatrics · 1973 · 508 citations
Life Sciences, Biochemistry, Pathobiology +9
Divergent C–H Functionalizations Directed by Sulfonamide Pharmacophores: Late-Stage Diversification as a Tool for Drug Discovery
Hui‐Xiong Dai, Antonia F. Stepan, Mark S. Plummer et al. · Journal of the American Chemical Society · 2011 · 476 citations
Pharmacy, Medicinal Chemistry, Pharmacology +17