imp-h3

3rd Party (Maintained by Koozali) git repo for imp-h3 smeserver

Description

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The imp-h3 software package is a high-performance molecular docking and virtual screening program for protein-ligand interactions. It is based on a hydrophobic-polar residue-based scoring function and utilizes a Monte Carlo algorithm to optimize the binding orientation of a ligand. Imp-h3 can be used to predict the binding affinity and selectivity of a given ligand-protein system, as well as to rank potential hits from a library of compounds for further optimization.