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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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Bibliographische Detailangaben
Veröffentlicht in:Methods Mol Biol
Hauptverfasser: Qi, Ruxi, Wei, Guanghong, Ma, Buyong, Nussinov, Ruth
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2018
Schlagworte:
Online Zugang: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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