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Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange
[Image: see text] The energy landscape of biomolecular systems contains many local minima that are separated by high energy barriers. Sampling this landscape in molecular dynamics simulations is a challenging task and often requires the use of enhanced sampling techniques. Here, we increase the samp...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7426904/ https://www.ncbi.nlm.nih.gov/pubmed/32569465 http://dx.doi.org/10.1021/acs.jctc.0c00429 |