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Conformational Entropy from Restricted Bond-Vector Motion in Proteins: The Symmetry of the Local Restrictions and Relation to NMR Relaxation
[Image: see text] Locally mobile bond-vectors contribute to the conformational entropy of the protein, given by S(k) ≡ S/k = −∫(P(eq) ln P(eq))dΩ – ln∫dΩ. The quantity P(eq) = exp(−u)/Z is the orientational probability density, where Z is the partition function and u is the spatially restricting pot...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7467720/ https://www.ncbi.nlm.nih.gov/pubmed/32356984 http://dx.doi.org/10.1021/acs.jpcb.0c02662 |