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

Director, Marketing Communications
Molecular Simulations Inc.
9685 Scranton Road
San Diego, CA 92121-3752
USA
619-546-5319
619-458-0136 (fax)
blp@msi.com

For applications in related solution areas, see the following indices: Bioengineering, Computational Chemistry, Molecular Biology, Molecular Modeling, the developer index for Molecular Simulations Inc. and the product category index for Chemistry, Biochem, Biotechnology.