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Discovery_of_LCK_Inhibitors
Discovery_of_LCK_Inhibitors PublicThis repository contains key files and data for the article "Discovery of A Novel and Potent LCK Inhibitor for Leukemia Treatment via Deep Learning and Molecular Docking". Our work focused on find…
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Cartesian-ddG
Cartesian-ddG PublicThis repository provides a fully automated pipeline for evaluating the effects of point mutations on protein stability using Rosetta's ddG protocol. It is particularly useful in protein engineering…
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schrodinger_utils
schrodinger_utils PublicForked from rebelot/schrodinger_utils
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Python
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