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GlamDock: Development and Validation of a New Docking Tool on Several Thousand Protein−Ligand Complexes
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Docking small ligands in flexible binding sites
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
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Automatic identification and representation of protein binding sites for molecular docking
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Progress toward virtual screening for drug side effects
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Improved protein–ligand docking using GOLD
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Comparative evaluation of eight docking tools for docking and virtual screening accuracy
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A geometric approach to macromolecule-ligand interactions
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LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites
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An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein−Ligand Complexes
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On Updating Torsion Angles of Molecular Conformations
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sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank
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Graph-Based Molecular Alignment (GMA)
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A Critical Assessment of Docking Programs and Scoring Functions
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Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
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Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
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Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model
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RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
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Optimization by Simulated Annealing
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Bone Cell Differentiation and Growth Factors
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On Information and Sufficiency
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