MMFF, an option to CHARMm, provides an independently derived force field. It was developed by Dr. Tom Halgren at Merck Research Laboratories. MMFF is parameterized using highest quality ab initio quantum mecanical potential energy surfaces. It provides accurate geometries and conformational energies for an unusually large variety of organic molecules. Featuring a novel "Buffered 7-14 Non-bonded Potential", MMFF has also yielded more predictive enzyme-ligand binding energies than alternative force fields in studies at Merck.
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, Computational Chemistry, Molecular Biology, Molecular Modeling, Visualization, the developer index for Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
