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Using sketch-map coordinates to analyze and bias molecular dynamics simulations
When examining complex problems, such as the folding of proteins, coarse grained descriptions of the system drive our investigation and help us to rationalize the results. Oftentimes collective variables (CVs), derived through some chemical intuition about the process of interest, serve this purpose...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
National Academy of Sciences
2012
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3325650/ https://ncbi.nlm.nih.gov/pubmed/22427357 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1201152109 |
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