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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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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Biophysical Society
2007
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| Assuntos: | |
| Acesso em linha: | 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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