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Exact milestoning
A new theory and an exact computer algorithm for calculating kinetics and thermodynamic properties of a particle system are described. The algorithm avoids trapping in metastable states, which are typical challenges for Molecular Dynamics (MD) simulations on rough energy landscapes. It is based on t...
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| Publicado no: | J Chem Phys |
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| Principais autores: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4352169/ https://ncbi.nlm.nih.gov/pubmed/25747056 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4913399 |
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