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  • Publication
  • Mar 13, 2018
Cheminformatics Analysis of Dynamic WNK-InhibitorInteractions
Kuenemann, et al. Mol. Inf., 2018, Article ASAP, DOI: 10.1002/minf.201700138
  • Publication
  • Aug 28, 2017
Investigating Protein-Peptide Interactions Using the Schr’dinger Computational Suite
Bhachoo, et al. Methods Mol Biol., 2017, 1561, 235-254
  • Publication
  • Mar 29, 2017
Adverse Drug Reactions Triggered by’the Common HLA-B*57:01 Variant: A Molecular Docking Study
Van Den Driessche, et al. J. Cheminform., 2017, 9 (13), 1-17
  • Publication
  • Mar 15, 2017
Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors
Kuhn, et al. J. Med. Chem., 2017, 60 (6), 2485-2497
  • Publication
  • Nov 28, 2016
Relative Binding Free Energy Calculations Applied to Protein Homology Models
Cappel, et al. J. Chem. Inf. Model., 2016, 56 (12), 2388-2400
  • Publication
  • Sep 8, 2015
Molecular Docking of Carbohydrate Ligands to Antibodies: Structural Validation against Crystal Structures
Agostino, et al. J. Chem. Inf. Model., 2009, 49, 2749-2760
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