HOOK

HOOK uses a Functionality Map generated by MCSS to generate novel potential ligands that satisfy the chemical and steric requirements of a macromolecular binding site. HOOK connects pairwise functional groups to molecular skeletons from a library and fits the resulting molecule into the receptor site. HOOK orders the hits by steric fit and allows further analysis by CHARMm and QUANTA.

Brenda Pfeiffer

.Marketing Specialist