The CGenFF software that has helped the world’s largest pharmaceutical companies better design their drugs will now be available as a pay-per-molecule web tool.


July 10th, 2024, Baltimore, MD – SilcsBio, which develops computational chemistry software for drug design and biologics formulation, launched the CGenFF Web App today. This product will make SilcsBio’s well-validated CGenFF program more accessible to a broader range of computational drug designers, through a pay-per-molecule pricing structure.

CGenFF was developed as a desktop software 14 years ago by renowned computational drug design researchers at the University of Maryland, Baltimore. Since then, the program has helped thousands of researchers in academia and at Fortune 500 pharmaceutical companies get the molecule parameters they need for accurate computational simulations. The program has been cited in more than 6,000 publications. With the launch of the CGenFF Web App version, SilcsBio is now making this program available to users who are interested in accessing the same powerful tools the world’s biggest drug companies use at a more flexible price range.

CGenFF is a software program that generates comprehensive topologies and parameters for organic molecules. The information includes the atom connectivity, atom charges, atom types, and empirical force field parameters required for a range of molecular modeling methods, molecular dynamics simulation packages, and related technologies. This allows researchers to run accurate simulations of the molecules alone or in heterogeneous biomolecular systems, such as ligand-protein complexes.

CGenFF stands for CHARMM General Force Field and is compatible with the CHARMM all-atom additive biological force fields. The program was developed in the lab of SilcsBio’s Co-founder Dr. Alex MacKerell.

“CGenFF, in conjunction with the additive CHARMM36 force field, enables accurate computational studies of drug candidates, facilitating the rational design and development of new drugs, and reducing time and resources demands for bringing new agents into clinical trials.,” said Dr. Alex MacKerell, Co-founder of SilcsBio.

CGenFF fits within SilcsBio’s suite of software products designed to support the mission of ensuring no drugs fail clinical trials. The addition of the web app version represents a significant stride in allowing the wider drug design community to access powerful computational tools that can help accelerate new discoveries in the field.

” With this launch, SilcsBio is making it so that our CGenFF toolset is within reach of every interested user,” said Nathan Nimbargi, Business Development Manager at SilcsBio.  “We will also learn from an expanded user base how we can continue advancing the capabilities of CGenFF.”

The CGenFF program will now be available on a pay-per-molecule basis, in addition to the annual software license option. Cost-free utilization of CGenFF Program is still accessible to individuals at educational institutions.

About SilcsBio

Based in Baltimore, MD, SilcsBio sells computational software for discovery, design, and lead optimization and for the development of biologics-based drugs. SilcsBio is an Early Charm portfolio company, co-founded by Dr. Alex MacKerell and Dr. Olgun Guvench and based on technologies developed at the University of Maryland, Baltimore.

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About Early Charm:

Early Charm, founded in 2012 in Charm City (Baltimore), converts science into products in the areas of advanced materials, computational sciences, and engineered products.

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Media Contact:

Nathan Nimbargi
SilcsBio Business Development Manager