Using enveloping distribution sampling to compute the folding free enthalpy of a β-peptide with a very unstable folded conformation in solution: The advantage of focused sampling using EDS

Autor: Lin, Zhixiong, Necula, Ciprian, van Gunsteren, Wilfred F.
Zdroj: In Chemical Physics 15 January 2014 428:156-163
Databáze: ScienceDirect