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High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators., , , , , , and . Journal of Chemical Information and Modeling, 57 (3): 529-539 (2017)Alignment-Based Prediction of Sites of Metabolism., , and . J. Chem. Inf. Model., 57 (6): 1258-1264 (June 2017)FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes., , , , , , , , and . J. Chem. Inf. Model., 59 (8): 3400-3412 (2019)FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity., , , , and . J. Chem. Inf. Model., 57 (8): 1832-1846 (August 2017)Benchmarking Commercial Conformer Ensemble Generators., , , , , and . J. Chem. Inf. Model., 57 (11): 2719-2728 (November 2017)NERDD: a web portal providing access to in silico tools for drug discovery., , , , , , and . Bioinform., 36 (4): 1291-1292 (2020)Data Resources for the Computer-Guided Discovery of Bioactive Natural Products., , and . J. Chem. Inf. Model., 57 (9): 2099-2111 (September 2017)Development of Computational Approaches for the Prediction of Regioselectivity and the Likely Products of Xenobiotic Metabolism. University of Hamburg, Germany, (2020)base-search.net (ftsubhamburg:oai:ediss.sub.uni-hamburg.de:ediss/8871).