CHARMm
provides full molecular mechanics and dynamics simulations, targeted at small organics, proteins and macromelecules. Run via the QUANTA interface, CHARMm employs extensive conformational search methods (both stochastic and exhaustive), and incorporates a wide range of functionality, including free energy perturbation methods (FEP) and a comprehensive set of force field parameters. Developed and continually enhanced by Professor Martin Karplus (Harvard University) and collaborators, CHARMm is one of the most widely used and validated computational engines in use for molecular modeling.
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: Analytical Chemistry, Bioengineering, Computational Chemistry, Computational Mechanics, Computer-Aided Modeling, Computer-Aided Molecular Design, Molecular Biology, Molecular Mechanics & Dynamics, Molecular Modeling, Scientific Visualization, the developer index for Molecular Simulations, Inc. and the market segment index for Chemistry, Biochem, Biotech, Materials.
CHARMm is a Trademark of Molecular Simulation Inc.
QUANTA is a Trademark of Molecular Simulations Inc.
