期刊
CELL RESEARCH
卷 20, 期 6, 页码 622-630出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/cr.2010.57
关键词
Markov state models; molecular dynamics; simulations; protein folding; conformational change; Alzheimer's disease
类别
资金
- NIH [R01-GM062868, U54 GM072970]
- NSF [EF-0623664]
- NSF GRFP
Molecular kinetics underlies all biological phenomena and, like many other biological processes, may best be understood in terms of networks. These networks, called Markov state models (MSMs), are typically built from physical simulations. Thus, they are capable of quantitative prediction of experiments and can also provide an intuition for complex conformational changes. Their primary application has been to protein folding; however, these technologies and the insights they yield are transferable. For example, MSMs have already proved useful in understanding human diseases, such as protein misfolding and aggregation in Alzheimer's disease.
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