Concepedia
European Journal of Medicinal Chemistry · 2012 · 95 citations · 34 references
Open access
Life SciencesBiochemistryBioinformaticsBiomolecular ModelingStructural BioinformaticsStructural BiologyMolecular DockingProtein ConformationProtein DockingProtein StructureProtein Structure ModelingProtein-ligand Docking
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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text
Pharmacy, Bioinformatics, Medicinal Chemistry +13
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations
Life Sciences, Bioinformatics, Molecular Biology +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
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
Peter A. Kollman, Irina Massova, Carolina Reyes et al. · Accounts of Chemical Research · 2000 · 4.9K citations
Natural Sciences, Biochemistry, Biophysics +17
Exploring protein native states and large‐scale conformational changes with a modified generalized born model
Alexey V. Onufriev, Donald Bashford, David A. Case · Proteins Structure Function and Bioinformatics · 2004 · 2.5K citations