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Markovian and Non-Markovian Modeling of Membrane Dynamics with Milestoning

We exploit atomically detailed simulations and the Milestoning theory to extract coarse grained models of membrane kinetics and thermodynamics. Non-Markovian and Markovian theories for the phosphate group displacements are used to coarsely represent membrane motions. The construction of the two mode...

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Bibliografiska uppgifter
I publikationen:J Phys Chem B
Huvudupphovsmän: Cardenas, Alfredo E., Elber, Ron
Materialtyp: Artigo
Språk:Inglês
Publicerad: 2016
Ämnen:
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC5001947/
https://ncbi.nlm.nih.gov/pubmed/27016332
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.6b01890
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