Coarse-grained conformational surface hopping: Methodology and transferability.
Rudzinski JF, Bereau T.
Rudzinski JF, et al. Among authors: bereau t.
J Chem Phys. 2020 Dec 7;153(21):214110. doi: 10.1063/5.0031249.
J Chem Phys. 2020.
PMID: 33291905
The SH scheme couples distinct conformational basins (states), each described by its own force field (surface), resulting in a significant improvement of the approximation to the many-body potential of mean force [T. Bereau and J. F. Rudzinski, Phys. Rev. Lett. 121, …
The SH scheme couples distinct conformational basins (states), each described by its own force field (surface), resulting in a significant i …