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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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Detalhes bibliográficos
Publicado no:Methods Mol Biol
Main Authors: Qi, Ruxi, Wei, Guanghong, Ma, Buyong, Nussinov, Ruth
Formato: Artigo
Idioma:Inglês
Publicado em: 2018
Assuntos:
Acesso em linha: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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