Multiple state transition interface sampling of alanine dipeptide in explicit solvent
نویسندگان
چکیده
منابع مشابه
Multiple state transition interface sampling of alanine dipeptide in explicit solvent.
We have applied the recently developed multiple state transition interface sampling approach to alanine dipeptide in explicit water. We extract the rate constant matrix for configurational changes between each pair of metastable states. The results are comparable with values from previous literature and show that the method is applicable to biomolecular systems.
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2011
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3644344