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CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.

, , , , , , , , , , , , , and . J. Chem. Inf. Model., 56 (6): 1022-1031 (2016)

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CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes., , , , , , , , and . J. Chem. Inf. Model., 51 (9): 2036-2046 (2011)Are there physicochemical differences between allosteric and competitive ligands?, , and . PLoS Comput. Biol., (2017)CSAR Benchmark Exercise 2011-2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series., , , , and . Journal of Chemical Information and Modeling, 53 (8): 1853-1870 (2013)Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design., , and . J. Comput. Aided Mol. Des., 22 (10): 727-736 (2008)Developing a Dynamic Pharmacophore Model for HIV-1 Integrase, , , , , , , and . Journal of Medicinal Chemistry, 43 (11): 2100-2114 (2000)PMID: 10841789.CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge., , , , , , , , , and 4 other author(s). J. Chem. Inf. Model., 56 (6): 1022-1031 (2016)Identification of Key Hinge Residues Important for Nucleotide-Dependent Allostery in E. coli Hsp70/DnaK., , , , and . PLoS Comput. Biol., (2013)Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge., , , , , , , , , and 12 other author(s). PLoS Comput. Biol., (2021)Gaussian-Weighted RMSD Superposition of Proteins: A Structural Comparison for Flexible Proteins and Predicted Protein Structures, and . Biophysical Journal, 90 (12): 4558 - 4573 (2006)Incorporating Dynamics in E. coli Dihydrofolate Reductase Enhances Structure-Based Drug Discovery., , and . Journal of Chemical Information and Modeling, 47 (6): 2358-2365 (2007)