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Replica Exchange Molecular Dynamics: A Practical Application Protocol with Solutions to Common Problems and a Peptide Aggregation and Self-Assembly Example

Protein aggregation is associated with many human diseases such as Alzheimer’s disease (AD), Parkinson’s disease (PD), and type II diabetes (T2D). Understanding the molecular mechanism of protein aggregation is essential for therapy development. Molecular dynamics (MD) simulations have been shown as...

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Vydáno v:Methods Mol Biol
Hlavní autoři: Qi, Ruxi, Wei, Guanghong, Ma, Buyong, Nussinov, Ruth
Médium: Artigo
Jazyk:Inglês
Vydáno: 2018
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6484850/
https://ncbi.nlm.nih.gov/pubmed/29744830
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/978-1-4939-7811-3_5
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