Configurational Entropy
A special issue of Entropy (ISSN 1099-4300).
Deadline for manuscript submissions: closed (30 April 2010) | Viewed by 129968
Special Issue Editor
Special Issue Information
Dear Colleagues,
Changes in the configurational part of entropy contribute significantly to the free energy of conformational change and binding in biomolecular systems. In particular, the change in configurational entropy is an important determinant of the energetics of the binding affinity in receptor-ligand systems. However, calculating the configurational entropy of complex non-harmonic systems is a highly challenging problem in need of innovative approaches to a practicable solution. Recently, information-theoretic methods and nonparametric statistical methods have been brought to bear on the problem of estimating configurational entropy from molecular simulations. This special issue of Entropy will provide a forum for contributions on both theoretical and computational aspects of the entropic characteristics of complex systems.
Dr. Vladimir Hnizdo
Guest Editor
Keywords
- configurational entropy or configuration entropy
- configurational free energy
- entropy of mixing
- entropy
- thermodynamics
- statistical mechanics
- information theory
- mutual information
- nearest neighbor
- complex systems
- dimension reduction
- many-body correlations
- non-Gaussian correlations
- molecular simulations
- receptor-ligand binding
Related Special Issue
- Gibbs Paradox and Its Resolutions in Entropy (9 articles)