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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)

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Improving Protocols for Protein Mapping through Proper Comparison to Crystallography Data., and . Journal of Chemical Information and Modeling, 53 (2): 391-402 (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)Correction to CSAR Benchmark Exercise of 2010: Selection of the Protein-Ligand Complexes., , , , , , , , and . J. Chem. Inf. Model., 51 (9): 2146 (2011)CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and Docking Decoys., , , , , , , , , and 2 other author(s). Journal of Chemical Information and Modeling, 53 (8): 1842-1852 (2013)Lessons Learned over Four Benchmark Exercises from the Community Structure-Activity Resource.. Journal of Chemical Information and Modeling, 56 (6): 951-954 (2016)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)Development of polyphosphate parameters for use with the AMBER force field., , and . J. Comput. Chem., 24 (9): 1016-1025 (2003)D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions., , , , , , , , , and 5 other author(s). J. Comput. Aided Mol. Des., 30 (9): 651-668 (2016)Are there physicochemical differences between allosteric and competitive ligands?, , and . PLoS Comput. Biol., (2017)Exploring the Composition of Protein-Ligand Binding Sites on a Large Scale., and . PLoS Comput. Biol., (2013)