Calculation of Configurational Entropy with a Boltzmann–Quasiharmonic Model: The Origin of High-Affinity Protein–Ligand Binding
Author:
Affiliation:
1. Department of Biochemistry and Biophysics, University of Pennsylvania School of Medicine, Philadelphia, Pennsylvania 19104, United States
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp111176x
Reference89 articles.
1. Thermodynamic and Structural Effects of Conformational Constraints in Protein−Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization
2. NMR order parameters and free energy: an analytical approach and its application to cooperative calcium(2+) binding by calbindin D9k
3. Contributions to protein entropy and heat capacity from bond vector motions measured by NMR spin relaxation
4. Insights into the local residual entropy of proteins provided by NMR relaxation
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