HipHop is a batch molecule alignment application, which can be used with MSI or other modeling programs to provide feature-based alignment of a collection of compounds onto a pharmacophoric hypothesis. HipHop takes a collection of conformational models of molecules and a selection of chemical features as input and produces a series of molecular alignments in a variety of standard file formats. The richness of chemical features supported includes: surface-accessible hydrophobes, surface-accessible hydrogen bond donors/acceptors, charged/ionizable groups and user-defined features to cover even the most subtle chemical concepts. HipHop can also produce a collection of 3-D database queries that can be used to find chemically diverse structural templates.
Jo Ellen Collins
Dir., Inside Sales/Mar Com
Molecular Simulations, Inc.
16 New England Executive Park
Burlington, MA 01803
USA
617-229-9800
617-229-9899 (fax)
jcollins@msi.com
For applications in related solution areas, see the following indices: Bioengineering, Biology, Computational Chemistry, Molecular Biology, Molecular Modeling, the developer index for Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
