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...
