Concepedia
European Journal of Medicinal Chemistry · 2011 · 169 citations · 22 references
PharmacyChemistryMedicinal ChemistryDrug DiscoveryOrganic ChemistrySynthetic Medicinal ChemistryAntiviral AgentsHeterocycle SynthesisHeterocyclic ChemistryLead Compound DesignOrganic SynthesisStereochemical OptimizationRing-forming ReactionsStereoselective Synthesis
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<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations
Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations
Natural Sciences, Chemistry, Biomolecular Modeling +13
Detailed analysis of grid‐based molecular docking: A case study of CDOCKER—A CHARMm‐based MD docking algorithm
Guosheng Wu, D. H. Robertson, Charles L. Brooks et al. · Journal of Computational Chemistry · 2003 · 1.6K citations
Life Sciences, Bioinformatics, Chemistry +16
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
Hans-Joachim B�hm · Journal of Computer-Aided Molecular Design · 1994 · 1K citations
Life Sciences, Biophysics, Medicinal Chemistry +16
Validation of the general purpose QUANTA ®3.2/CHARMm® force field
Frank A. Momany, Rebecca Rone · Journal of Computational Chemistry · 1992 · 579 citations
Natural Sciences, Chemistry, Biomolecular Modeling +16
2′,3′-Dideoxyinosine (ddI) in Patients with the Acquired Immunodeficiency Syndrome or AIDS-Related Complex
John S. Lambert, Mindell Seidlin, Richard C. Reichman et al. · New England Journal of Medicine · 1990 · 390 citations
Pharmacy, Pharmacology, Pharmacotherapy +17