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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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| Yayımlandı: | J Chem Phys |
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| Asıl Yazarlar: | , |
| Materyal Türü: | Artigo |
| Dil: | Inglês |
| Baskı/Yayın Bilgisi: |
AIP Publishing LLC
2015
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| Konular: | |
| Online Erişim: | 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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