Chemistry in Drug Design

Profacgen provides QM calculation service to describe the protein system, including ligands and solvent, in order to gain a better understanding of protein-ligand interactions with improved accuracy. The utility of QM can provide accurate force field parameters from results of ab initio calculations on small model structures. It can also explicitly describe the electronic structure of a molecule.
https://www.profacgen.com/Quantum-Mechanics-Chemistry-in-Drug-Design.htm