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Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site.

, , , , , and . J. Comput. Aided Mol. Des., 33 (5): 461-475 (2019)

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Enlighten2: molecular dynamics simulations of protein-ligand systems made accessible., and . Bioinform., 36 (20): 5104-5106 (2020)Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site., , , , , and . J. Comput. Aided Mol. Des., 33 (5): 461-475 (2019)An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases., , , , , , and . J. Chem. Inf. Model., 59 (8): 3365-3369 (2019)Multi-scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins., , , , and . J. Comput. Chem., 41 (26): 2278-2295 (2020)Identification of the quinolinedione inhibitor binding site in Cdc25 phosphatase B through docking and molecular dynamics simulations., , , , , and . J. Comput. Aided Mol. Des., 31 (11): 995-1007 (2017)Reliable In Silico Ranking of Engineered Therapeutic TCR Binding Affinities with MMPB/GBSA., , , and . J. Chem. Inf. Model., 62 (3): 577-590 (2022)Dynameomics: A Comprehensive Database of Protein Dynamics, , , , , , , , , and 3 other author(s). Structure, 18 (4): 423 - 435 (2010)