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Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods

✍ Scribed by Adam Liwo; Jarosław Pillardy; Rajmund Kaźmierkiewicz; Ryszard J. Wawak; Małgorzata Groth; Cezary Czaplewski; Stanisaw Ołdziej; Harold A. Scheraga

Publisher
Springer
Year
1999
Tongue
English
Weight
283 KB
Volume
101
Category
Article
ISSN
1432-2234

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A two-stage procedure for the determination of a united-residue potential designed for protein simulations is outlined. In the first stage, the long-range and local-interaction energy terms of the total energy of a polypeptide chain are determined by analyzing protein᎐crystal data and averaging the