Concepedia
Bioorganic & Medicinal Chemistry · 2009 · 55 citations · 50 references
Open access
PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryMolecular PharmacologyLigand BindingProtein-ligand DockingReceptor PharmacologyReceptor PhysiologyReceptor-ligand InteractionsAdenosine Receptor SignalingAdenosine TriphosphatasesReceptors
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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations
Natural Sciences, Biochemistry, Biophysics +17
Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction
Yung-Chi Cheng, William H. Prusoff · Biochemical Pharmacology · 1973 · 12.9K citations
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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94
Thomas A. Halgren · Journal of Computational Chemistry · 1996 · 5.3K citations
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The 2.6 Angstrom Crystal Structure of a Human A <sub>2A</sub> Adenosine Receptor Bound to an Antagonist
Veli‐Pekka Jaakola, Mark T. Griffith, Michael A. Hanson et al. · Science · 2008 · 1.8K citations · Full text
Life Sciences, Biochemistry, Pharmacology +17
MMFF VI. MMFF94s option for energy minimization studies
Thomas A. Halgren · Journal of Computational Chemistry · 1999 · 1.2K citations
Natural Sciences, Biophysics, Chemistry +14