Multiple state transition interface sampling of alanine dipeptide in explicit solvent
| Authors | |
|---|---|
| Publication date | 2011 |
| Journal | Journal of Chemical Physics |
| Volume | Issue number | 135 | 14 |
| Pages (from-to) | 145102-145102 |
| Number of pages | 10 |
| Organisations |
|
| Abstract |
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. |
| Document type | Article |
| Note | PT: J; TC: 0; UT: WOS:000295884400050 |
| Language | English |
| Published at | https://doi.org/10.1063/1.3644344 |
| Downloads |
350647.pdf
(Final published version)
|
| Permalink to this page | |