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Interbasin motion approach to dynamics of conformationally constrained peptides
2003
Journal of Chemical Physics
In this paper, the interbasin motion ͑IBM͒ approach is applied to studying dynamics of conformationally constrained peptides, being extended to a nonideal contact of the system with a thermal bath. The coupling of the system with the thermal bath is expressed in terms of a memory function. The aim of the present study is twofold. First, we present a dynamical diagnosis of the three hexapeptide variants with the main focus on the transitions between basins rather than between individual states.
doi:10.1063/1.1554393
fatcat:tzqnpcjjmrdgtglgzrwiovcrja