- Multiple state transition interface sampling of alanine dipeptide in explicit solvent
- Journal of Chemical Physics
- Volume | Issue number
- 135 | 14
- Pages (from-to)
- Number of pages
- Document type
- Faculty of Science (FNWI)
- Van 't Hoff Institute for Molecular Sciences (HIMS)
- 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.
- go to publisher's site
- PT: J; TC: 0; UT: WOS:000295884400050
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