Description

Schrodinger Glide is a virtual screening-based rational workflow designed for ligand-receptor docking. It enables users to accomplish sampling and advanced scoring, resulting in higher enrichment, find the binding modes for a large set of test cases, generate a collection of ligand conformations, as well as achieve lower RMS deviations from co-crystallized structures. Features include OPLS support, distance-dependent dielectric model capability, Emodel scoring support, lead optimization, binding mode prediction, and metrics evaluation. Modules include Glide HTVS, Glide SP, and Glide XP.