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Predicting the Magnitude of σ-Holes Using VmaxPred, a Fast and Efficient Tool Supporting the Application of Halogen Bonds in Drug Discovery., , and . J. Chem. Inf. Model., 59 (2): 636-643 (2019)Probing the impact of protein and ligand preparation procedures on chemotype enrichment in structure-based virtual screening using DEKOIS 2.0 benchmark sets., , and . J. Cheminformatics, 6 (S-1): 19 (2014)Use of DEKOIS 2.0 to gain insights for virtual screening., , , and . J. Cheminformatics, 6 (S-1): 24 (2014)Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0 - A Public Library of Challenging Docking Benchmark Sets., , , and . J. Chem. Inf. Model., 53 (6): 1447-1462 (2013)Scaffold dependencies for halogen bonding: quantum mechanical investigation of nitrogen-bearing heterocycles., , and . J. Cheminformatics, 6 (S-1): 16 (2014)Evaluating the Potential of Halogen Bonding in Molecular Design: Automated Scaffold Decoration Using the New Scoring Function XBScore., , and . J. Chem. Inf. Model., 55 (3): 687-699 (2015)Data quality in drug discovery: the role of analytical performance in ligand binding assays., , , , , , , , , and 1 other author(s). J. Comput. Aided Mol. Des., 29 (9): 847-865 (2015)Using halogen bonds to address the protein backbone: a systematic evaluation., , , , and . J. Comput. Aided Mol. Des., 26 (8): 935-945 (2012)Targeting Histidine Side Chains in Molecular Design through Nitrogen-Halogen Bonds., , , , and . J. Chem. Inf. Model., 53 (12): 3178-3189 (2013)Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine., , , , and . J. Chem. Inf. Model., 56 (7): 1373-1383 (2016)