Capturing non-local through-bond effects in molecular mechanics force fields: II. Using fractional bond orders to fit torsion parameters
C. D. Stern, J. Maat, D. L. Dotson, C. I. Bayly, D. G. A. Smith, D. L. Mobley, J. D. Chodera
bioRxiv · Jan 17, 2022 · PreprintBiophysics