Rapid and Automated Parametrization
Comprehensive Topology Generation and Parameter Assignment for Organic Molecules. The CHARMM General Force Field (CGenFF) program enables use of a wide range of diverse drug-like molecules in computer-aided drug design efforts.
Automated Topology Generation and Parameter Assignment for Organic Molecules
The comprehensive parameter files contain the information on atom connectivities, atom charges, atom types, bond angles, dihedral angles, bond force constants, and the empirical force field parameters required for a range of molecular modeling methods, molecular dynamics simulation packages, and related technologies.
COMPATABLE
Parameter output format is compatible with CHARMM force field and a range of modeling and simulation packages.
WIDE COVERAGE
CGenFF can be used for >90% of drug-like molecules
EASY TO USE
Input molecular structure in MOL2 format, CGenFF does the rest!
SCALABLE
Iteratively & rapidly process large number of organic compounds.
FAST
Parameter generation time: <0.01s per compound on a single core node.
COMPATABLE
Parameter output format is compatible with CHARMM force field and a range of modeling and simulation packages.
WIDE COVERAGE
CGenFF can be used for >90% of drug-like molecules
EASY TO USE
Input molecular structure in MOL2 format, CGenFF does the rest!
COMPATABLE
Parameter output format is compatible with CHARMM force field and a range of modeling and simulation packages.
WIDE COVERAGE
CGenFF can be used for >90% of drug-like molecules
EASY TO USE
Input molecular structure in MOL2 format, CGenFF does the rest!
ACCELERATE YOUR RESULTS
WITH SILCSBIO
Connect with us today to learn more about how we can
help your team work faster and more efficiently.
