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


PDE10a_2OVV_diverseconfsProtein-ligand and host-guest binding affinity prediction. VM2 provides true binding free energies. This flexible receptor/binder model includes solvation and configurational entropy. Output includes Boltzmann weighted conformers in standard file formats. Learn more >


kni_272_2s_3dPowerful 2D to 3D conversion and conformational optimization. This simple to use application rapidly constructs multiple starting structures and explores their potential energy surfaces. VConf is both symmetry and parity aware. Learn more >


VCharge_figure_diagonalAtomic partial charges in a fraction of a second per compound. VCharge accurately reproduces charges determined by ab initio electrostatic potential calculations. Results can be conveniently reviewed through a graphical user interface. Learn more >