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Monte Carlo, harmonic approximation, and coarse-graining approaches for enhanced sampling of biomolecular structure
The rugged energy landscape of biomolecules and associated large-scale conformational changes have triggered the development of many innovative enhanced sampling methods, either based or not based on molecular dynamics (MD) simulations. Surveyed here are methods in the latter class - including Monte...
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Biology Reports Ltd
2009
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2924683/ https://ncbi.nlm.nih.gov/pubmed/20948637 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3410/B1-48 |
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