Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 135, Issue 14, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3644344
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- Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)
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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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3644344]
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