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Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets.

, , , and . J. Comput. Chem., 38 (30): 2641-2663 (2017)

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DOCK 6: Impact of new features and current docking performance., , , , , , , , and . J. Comput. Chem., 36 (15): 1132-1156 (2015)Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets., , , and . J. Comput. Chem., 38 (30): 2641-2663 (2017)Evaluation of DOCK 6 as a pose generation and database enrichment tool., , , , , and . J. Comput. Aided Mol. Des., 26 (6): 749-773 (2012)Docking Validation Resources: Protein Family and Ligand Flexibility Experiments., , and . J. Chem. Inf. Model., 50 (11): 1986-2000 (2010)Property-Unmatched Decoys in Docking Benchmarks., , , , , , , , and . J. Chem. Inf. Model., 61 (2): 699-714 (2021)Implementation and evaluation of a docking-rescoring method using molecular footprint comparisons., , and . J. Comput. Chem., 32 (10): 2273-2289 (2011)Grid-based molecular footprint comparison method for docking and de novo design: Application to HIVgp41., , , and . J. Comput. Chem., 34 (14): 1226-1240 (2013)DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking., , and . J. Comput. Chem., 45 (1): 47-63 (2024)Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange., , , , , , , , , and . J. Chem. Inf. Model., 58 (2): 464-471 (2018)