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A method of incorporating rate constants as kinetic constraints in molecular dynamics simulations
From the point of view of statistical mechanics, a full characterization of a molecular system requires an accurate determination of its possible states, their populations, and the respective interconversion rates. Toward this goal, well-established methods increase the accuracy of molecular dynamic...
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| Foilsithe in: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , |
| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe: |
National Academy of Sciences
2021
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| Ábhair: | |
| Rochtain Ar Líne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7812743/ https://ncbi.nlm.nih.gov/pubmed/33376207 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.2012423118 |
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