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Molecular Dynamics Simulations Using Temperature-Enhanced Essential Dynamics Replica Exchange

Today's standard molecular dynamics simulations of moderately sized biomolecular systems at full atomic resolution are typically limited to the nanosecond timescale and therefore suffer from limited conformational sampling. Efficient ensemble-preserving algorithms like replica exchange (REX) ma...

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Hlavní autoři: Kubitzki, Marcus B., de Groot, Bert L.
Médium: Artigo
Jazyk:Inglês
Vydáno: Biophysical Society 2007
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC1877756/
https://ncbi.nlm.nih.gov/pubmed/17384062
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.103101
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