VeraChem is pleased to announce the release of VM2 3.0, the latest version of its software for the calculation of protein-ligand and host-guest binding free energies.

VM2 3.0 includes an end-to-end workflow capability that automates system setup and forcefield typing/parameter assignment, ligand 2D to 3D conversion, generation of initial receptor-ligand conformations, submission of free energy calculations via resource managers, and collection and organization of final binding free energy results. Extensive benchmarking of VM2 3.0 predicted binding free energies has shown it to be much faster than competing free energy methods while retaining similar accuracy. See this presentation for details of the method and benchmarking studies. Request a quote, trial license, or academic license here.