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Unconstrained Enhanced Sampling for Free Energy Calculations of Biomolecules: A Review
Free energy calculations are central to understanding the structure, dynamics and function of biomolecules. Yet insufficient sampling of biomolecular configurations is often regarded as one of the main sources of error. Many enhanced sampling techniques have been developed to address this issue. Not...
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| Publicado en: | Mol Simul |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2016
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4955644/ https://ncbi.nlm.nih.gov/pubmed/27453631 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/08927022.2015.1121541 |
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