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Combination of Markov State Models and Kinetic Networks for the Analysis of Molecular Dynamics Simulations of Peptide Folding
[Image: see text] Atomistic molecular dynamics simulations of the TZ1 beta-hairpin peptide have been carried out using an implicit model for the solvent. The trajectories have been analyzed using a Markov state model defined on the projections along two significant observables and a kinetic network...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Chemical Society
2011
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| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3106446/ https://ncbi.nlm.nih.gov/pubmed/21553833 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp112158w |
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