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Calculation of the relative change in binding free energy of a protein-inhibitor complex

✍ Scribed by Bash, P.; Singh, U.; Brown, F.; Langridge, R; Kollman, P.


Book ID
111981117
Publisher
American Association for the Advancement of Science
Year
1987
Tongue
English
Weight
802 KB
Volume
235
Category
Article
ISSN
0036-8075

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Calculation of the free energy of associ
✍ Nancy Horton; Mitchell Lewis πŸ“‚ Article πŸ“… 2008 πŸ› Cold Spring Harbor Laboratory Press 🌐 English βš– 989 KB

## Abstract We have developed a method for calculating the association energy of quaternary complexes starting from their atomic coordinates. The association energy is described as the sum of two solvation terms and an energy term to account for the loss of translational and rotational entropy. The