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Conformational Contribution to Thermodynamics of Binding in Protein-Peptide Complexes through Microscopic Simulation
We extract the thermodynamics of conformational changes in biomacromolecular complexes from the distributions of the dihedral angles of the macromolecules. These distributions are obtained from the equilibrium configurations generated via all-atom molecular dynamics simulations. The conformational t...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
The Biophysical Society
2013
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3602779/ https://ncbi.nlm.nih.gov/pubmed/23528087 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2012.12.058 |
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