Capturing non-local through-bond effects when fragmenting molecules for quantum chemical torsion scans

Chaya D. Stern, Christopher I. Bayly, Daniel G. A. Smith, Josh Fass, Lee-Ping Wang, David L. Mobley, and John D. Chodera
Preprint ahead of submission
[bioRxiv] [GitHub code] [GitHub data] [Metadata] [OSF]