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A Fast Flexible Docking Method using an Incremental Construction Algorithm

Journal of Molecular Biology · 1996 · Vol. 261(3) · pp. 470–489
Matthias RareyBernd KrämerThomas LengauerG. Klebe
Computational Drug Discovery MethodsClick Chemistry and ApplicationsBiotin and Related StudiesDocking (animal)Ligand (biochemistry)AlgorithmSearching the conformational space for dockingProtein–ligand dockingChemistryRamachandran plotChemical spaceBiological systemProtein structure

MeSH terms

AlgorithmsLigandsModels, MolecularProtein BindingProteins
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References
Automated docking of substrates to proteins by simulated annealing
Proteins Structure Function and Bioinformatics · 1990 · 1,271 citations
Analytical molecular surface calculation
Journal of Applied Crystallography · 1983 · 2,500 citations
A geometric approach to macromolecule-ligand interactions
Journal of Molecular Biology · 1982 · 2,247 citations
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