- Multiple state transition interface sampling of alanine dipeptide in explicit solvent
- Journal of Chemical Physics
- Volume | Issue number
- 135 | 14
- 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
If you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library, or send a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible.