VeraChem LLC was founded in 2000 to advance the state of the art in computer-aided drug-discovery and molecular design by developing computational chemistry methods that are based on cutting edge basic science, but are also applicable in applied science research settings. Efficient high performance software implementations of these methods coupled with comprehensive user support are a central company strategy for product development. VeraChem’s offices are located in Germantown, MD, in the heart of the I-270 Technology Corridor.
Scientific Software and Algorithms
Current VeraChem software capabilities include protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with all the commonly used empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork algorithm, and automatic detection of topological and 3D molecular symmetries. VeraChem’s software packages are constructed from a modular code base. Numerically intensive algorithms are implemented with low-level programming languages and libraries to make full use of high-performance compute hardware, including parallel processing. Tools for molecule preparation and visualization tasks are implemented with high-level programming and scripting languages. All our software is available for licensing that includes comprehensive support from our highly experienced staff. Contact us for a quote.
VeraChem offers scientific consulting services to pharmaceutical and chemical companies. These services range from application of our newly developed protein-ligand free energy prediction software to aid in drug-lead optimization efforts to high-level quantum chemistry calculations on small molecules. If you are interested in finding out how VeraChem’s consulting services can help your company contact us today!
VeraChem engages in scientific collaborations with university research groups as well as other non-profit research groups. These projects are mutually beneficial. They provide VeraChem with valuable feedback regarding software and method performance and keep our staff up-to-date with developing interests and progress in basic research. All VeraChem software is provided to collaborators free of charge for the duration of these projects. Contact us if your research group has a project you think can benefit from VeraChem’s unique software capabilities.