Torsion fitting and small molecule fragmentation
Channel: Open Force Field Initiative
Date: 2019-01-13

John Chodera, Chaya Stern, Lee-Ping Wang, and Daniel Smith describe generation of QM torsional energy profiles and fragmentation of drug-like molecules for torsion scanning.

Slides: https://www.researchgate.net/publication/330305304_Torsion_fitting_and_small_molecule_fragmentation