TIMP2 Docking and ADMET Pipeline

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Authors

Curry, Joshua D. · Los Angeles Pierce College

Abstract

A computational pipeline for identifying CNS-penetrant small molecule modulators of TIMP2 through large-scale virtual screening, ADMET profiling, and orthogonal toxicity validation. Includes Python scripts, ligand libraries, docking results, and filtering tools.

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Published in: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.17555740

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TIMP2 Docking and ADMET Pipeline

Authors

Abstract

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Publication Details