2020
DOI: 10.1021/acs.jpcb.0c02662
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Conformational Entropy from Restricted Bond-Vector Motion in Proteins: The Symmetry of the Local Restrictions and Relation to NMR Relaxation

Abstract: 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 … Show more

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