An improved algorithm for packing polypeptide chains with fixed geometry, which converges to a local energy minimum rapidly and efficiently, is described. The speed of convergence of the new algorithm is comparable to that of existing algorithms for minimizing the energies of single polypeptide chai
Minimization of polypeptide energy: X. A global search algorithm
β Scribed by G.M. Crippen; H.A. Scheraga
- Book ID
- 115701063
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 802 KB
- Volume
- 144
- Category
- Article
- ISSN
- 0003-9861
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An algorithm has been developed for packing polypeptide chains by energy minimization subject to regularity conditions, in which regularity is maintained without the addition of pseudoenergy terms by defining the energy as a function of appropriately chosen independent variables. The gradient of the
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