A robust approach to calculate entropy change based on density functional theory in the energy representation
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3272029
Reference29 articles.
1. Ligand configurational entropy and protein binding
2. Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
3. Method for estimating the configurational entropy of macromolecules
4. Free energy determination of polypeptide conformations generated by molecular dynamics
5. Predicting conformational entropy of bond vectors in proteins by networks of coupled rotators
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