LigPrep
Versatile ligand preparation tool for structure-based workflows
Versatile ligand preparation tool for structure-based workflows
LigPrep is a tool to robustly and rapidly prepare high-quality small molecule ligand structures for structure-based virtual screening and other computational workflows. LigPrep works by expanding tautomeric and ionization states, ring conformations, and stereoisomers consistent with the input information to fully capture the relevant states of the molecule in 3D.
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