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Multiconfigurational Coarse-Grained Molecular Dynamics
[Image: see text] Standard low resolution coarse-grained modeling techniques have difficulty capturing multiple configurations of protein systems. Here, we present a method for creating accurate coarse-grained (CG) models with multiple configurations using a linear combination of functions or “state...
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| Vydáno v: | J Chem Theory Comput |
|---|---|
| Hlavní autoři: | , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American
Chemical Society
2019
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| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6660024/ https://ncbi.nlm.nih.gov/pubmed/30897328 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01133 |
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