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Renormalizing SMD: The Renormalization Approach and Its Use in Long Time Simulations and Accelerated PMF Calculations of Macromolecules
Simulations of long time process in condensed phases in general and in biomolecules in particular, presents a major challenge that cannot be overcome at present by brute force molecular dynamics (MD) approaches. This work takes the renormalization method, intruded by us sometime ago, and establishes...
Tallennettuna:
| Päätekijät: | , |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
2010
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2948080/ https://ncbi.nlm.nih.gov/pubmed/20836533 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp1056122 |
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