mackerell-lab / FDA-compounds-SILCS-Hotspots-SI

SI data repository for the SILCS-Hotspots / druggable sites paper

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FDA-compounds-SILCS-Hotspots-SI

Part of the Supporting Information for the manuscript: "Physics- and machine-learning-based method to accurately predict druggable binding sites using SILCS-Hotspots" Erik B. Nordquist, Mingtian Zhao, Anmol Kumar, Alexander D. MacKerell, Jr. Journal of Computational Chemical Informatics (submitted)

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SI data repository for the SILCS-Hotspots / druggable sites paper