Towards protein folding by global energy optimization
β Scribed by Ruben A. Abagyan
- Book ID
- 115928448
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 802 KB
- Volume
- 325
- Category
- Article
- ISSN
- 0014-5793
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Eight protein-ligand complexes were simulated by using global optimization of a complex energy function, including solvation, surface tension, and side-chain entropy in the internal coordinate space of the flexible ligand and the receptor side chains [Abagyan, R.
A novel hierarchical approach to protein folding has been applied to compute the unknown structures of seven target proteins provided by CASP3. The approach is based exclusively on the global optimization of a potential energy function for a united-residue model by conformational space annealing, fo