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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Site identification by ligand competitive saturation

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2 results in Keywords: Site identification by ligand competitive saturation

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 1 posted 25 April 2024

79

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Biological and Medicinal Chemistry

Combining SILCS and Artificial Intelligence for High-Throughput Prediction of Drug Molecule Passive Permeability

Alexander MacKerell, Poonam Pandey

Version 1 posted 05 April 2023

261

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