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Theoretical and Computational Chemistry

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Mayukh Chakrabarti

2 results in Authors: Mayukh Chakrabarti

Theoretical and Computational Chemistry

DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large-scale docking

Trent E. Balius, Mayukh Chakrabarti, Y. Stanley Tan

Version 1 posted 07 June 2023

655

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Theoretical and Computational Chemistry

Development of receptor desolvation scoring and covalent sampling in DOCK 6: methods evaluated on a RAS test set

Y. Stanley Tan, Mayukh Chakrabarti, Reed M Stein, Lauren E Prentis, Robert C Rizzo, Tom Kurtzman, Marcus Fischer, Trent E Balius

Version 1 posted 09 September 2024

181

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