Linking time-series of single-molecule experiments with molecular dynamics simulations by machine learning

Linking time-series of single-molecule experiments with molecular dynamics simulations by machine learning

Single-molecule experiments and molecular dynamics (MD) simulations are indispensable tools for investigating protein conformational dynamics. The former provide time-series data, such as donor-acceptor distances, whereas the latter give atomistic information, although this information is often bias...

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Bibliographic Details
Main Authors: Yasuhiro Matsunaga, Yuji Sugita
Format: Article
Language:English
Published: eLife Sciences Publications Ltd 2018-05-01
Series:eLife
Subjects:
single-molecule experiment
molecular dynamics simulation
semi-supervised learning
Markov state model
transfer learning
time-series analysis
Online Access:https://elifesciences.org/articles/32668

Internet

https://elifesciences.org/articles/32668

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