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Markov state modeling and dynamical coarse-graining via discrete relaxation path sampling
A method is derived to coarse-grain the dynamics of complex molecular systems to a Markov jump process (MJP) describing how the system jumps between cells that fully partition its state space. The main inputs are relaxation times for each pair of cells, which are shown to be robust with respect to p...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | J Chem Phys |
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| Κύριοι συγγραφείς: | , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
AIP Publishing LLC
2015
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5848775/ https://ncbi.nlm.nih.gov/pubmed/26233119 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4926940 |
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