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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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| Published in: | Mol Simul |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
2016
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| Subjects: | |
| Online Access: | 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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