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Spatial chemical distance based on atomic property fields., , , and . J. Comput. Aided Mol. Des., 24 (3): 173-182 (2010)Pocketome: an encyclopedia of small-molecule binding sites in 4D., , and . Nucleic Acids Res., 40 (Database-Issue): 535-540 (2012)Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles., , and . J. Comput. Aided Mol. Des., 24 (5): 459-471 (2010)Druggable exosites of the human kino-pocketome., , , and . J. Comput. Aided Mol. Des., 34 (3): 219-230 (2020)A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)., , , and . J. Comput. Aided Mol. Des., 22 (5): 311-325 (2008)kboolnet: a toolkit for the verification, validation, and visualization of reaction-contingency (rxncon) models., , , and . BMC Bioinform., 24 (1): 246 (December 2023)Optimization of High Throughput Virtual Screening by Combining Shape-Matching and Docking Methods., , , , , , and . Journal of Chemical Information and Modeling, 48 (3): 489-497 (2008)Identification of Novel Serotonin Transporter Compounds by Virtual Screening., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 54 (3): 933-943 (2014)Structure-Based Predictions of Activity Cliffs., , , , and . J. Chem. Inf. Model., 55 (5): 1062-1076 (2015)