Industry leading end-point free energy methods Powerful conformational searching Flexible ligand and binding site models

Introducing VM2: a software package for protein-ligand binding free energies

  • Fully flexible ligand and protein binding site
  • Calculates true free energies of binding
  • Not restricted to congeneric ligand series
  • Finds low energy conformers using highly optimized mode-distort-minimze algorithms (movie)
  • Can combine mode search with ligand rotation-translation search when ligand pose unknown (movie)
  • Uses accurate Poisson-Boltzmann solvation model
  • Output includes Boltzmann weighted conformers in standard file formats
  • Provides breakdown of energy terms including configurational entropy
  • Parallel processor enabled including multi-GPU
  • Cloud enabled version available
  • Commercial and academic licensing available now

Learn more >