✦ LIBER ✦
Grid-search molecular accessible surface algorithm for solving the protein docking problem
✍ Scribed by Huajun Wang
- Book ID
- 102879541
- Publisher
- John Wiley and Sons
- Year
- 1991
- Tongue
- English
- Weight
- 557 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
An algorithm for solving the protein docking problem is presented. Many tentative dockings are fist generated by requiring a hole on the surface of one protein to match a knob on the surface of the other. All the tentative dockings are then applied. The initial configurations thus generated are further optimized. The optimization is facilitated by giving a discrete representation to the protein interior and a double-layer discrete representation to the protein surface. The algorithm presented correctly predicts the association of trypsin with its inhibitor as well as that of the a and / 3 subunits in hemoglobin.