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Theoretical and Computational Chemistry

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4 results in Keywords: CADD

Theoretical and Computational Chemistry

Combined physics- and machine-learning-based method to identify druggable binding sites using SILCS-Hotspots

Erik Nordquist, Mingtian Zhao, Anmol Kumar, Alex MacKerell

Version 2 posted 20 August 2024

542

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1

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Theoretical and Computational Chemistry

Computational Study of Paxlovid in Ligand GA

Gordon Chalmers

Version 1 posted 10 February 2022

715

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1

Citations

Theoretical and Computational Chemistry

Dynamic docking in protein-ligand modeling

Gordon Chalmers

Version 1 posted 28 June 2022

437

Downloads

1

Citations

Theoretical and Computational Chemistry

Computational molecular modeling of Paxlovid binding

Gordon Chalmers

Version 1 posted 29 June 2022

308

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