| Autor: |
Kortemme T; Howard Hughes Medical Institute and Department of Biochemistry, J-567 Health Sciences, Box 357350, University of Washington, Seattle, WA 98195-7350, USA., Morozov AV, Baker D |
| Jazyk: |
angličtina |
| Zdroj: |
Journal of molecular biology [J Mol Biol] 2003 Feb 28; Vol. 326 (4), pp. 1239-59. |
| DOI: |
10.1016/s0022-2836(03)00021-4 |
| Abstrakt: |
Hydrogen bonding is a key contributor to the specificity of intramolecular and intermolecular interactions in biological systems. Here, we develop an orientation-dependent hydrogen bonding potential based on the geometric characteristics of hydrogen bonds in high-resolution protein crystal structures, and evaluate it using four tests related to the prediction and design of protein structures and protein-protein complexes. The new potential is superior to the widely used Coulomb model of hydrogen bonding in prediction of the sequences of proteins and protein-protein interfaces from their structures, and improves discrimination of correctly docked protein-protein complexes from large sets of alternative structures. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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