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Statistical Prediction and Molecular Dynamics Simulation
We describe a statistical approach to the validation and improvement of molecular dynamics simulations of macromolecules. We emphasize the use of molecular dynamics simulations to calculate thermodynamic quantities that may be compared to experimental measurements, and the use of a common set of ene...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2576400/ https://ncbi.nlm.nih.gov/pubmed/18676654 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.131623 |
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