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The Calculation of Free-Energy Differences by Confinement Simulations. Application to Peptide Conformers
Conformational free-energy differences are key quantities for understanding important phenomena in molecular biology that involve large structural changes of macromolecules. In this paper, an improved version of the confinement approach, which is based on earlier developments, determines the free en...
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| Autori principali: | , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2009
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3710665/ https://ncbi.nlm.nih.gov/pubmed/19552392 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp9020646 |
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