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Stochastic modeling of macromolecules in solution. I. Relaxation processes
2019
Journal of Chemical Physics
A framework for the stochastic description of relaxation processes in flexible macromolecules, including dissipative effects, is introduced from an atomistic point of view. Projection-operator techniques are employed to obtain multidimensional Fokker-Planck operators governing the relaxation of internal coordinates and global degrees of freedom and depending upon parameters fully recoverable from classic force fields (energetics) and continuum models (friction tensors). A hierarchy of
doi:10.1063/1.5077065
pmid:31091939
fatcat:hb472gidrzdj5j5vo2yzrv7cdu