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Enspara: Modeling molecular ensembles with scalable data structures and parallel computing
Markov state models (MSMs) are quantitative models of protein dynamics that are useful for uncovering the structural fluctuations that proteins undergo, as well as the mechanisms of these conformational changes. Given the enormity of conformational space, there has been ongoing interest in identifyi...
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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
2019
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| Konular: | |
| Online Erişim: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6910589/ https://ncbi.nlm.nih.gov/pubmed/30709308 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5063794 |
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