A protein energy surface is constructed. Validation is through applications of global energy minimization to surface loops of protein crystal structures. For 9 of 10 predictions, the native backbone conformation is identified correctly. Electrostatic energy is modeled as a pairwise sum of interactio
โฆ LIBER โฆ
Effective energy functions for protein structure prediction
โ Scribed by Themis Lazaridis; Martin Karplus
- Book ID
- 114314260
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 91 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0959-440X
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๐ 2 views
A Gaussian solvent-exclusion model for the solvation free energy is developed. It is based on theoretical considerations and parametrized with experimental data. When combined with the CHARMM 19 polar hydrogen energy function, it provides an effective energy function (EEF1) for proteins in solution.
Protein Structure Prediction Volume 65 |
Protein Structure Prediction Volume 65 || The Assessment of Methods for Protein Structure Prediction
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