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
✦ LIBER ✦
Statistics and dimensions of polypeptide chains interacting with weak long-range forces
✍ Scribed by Claire Debever
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 413 KB
- Volume
- 95
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Tbc smtistir;tl ~mdod of Wvne Carlo. including long-range interactions. has been used to evaluate properties of short poly-alaninc and pol~-&cine chains as a function of chain Irnsth. The chains were composed of at most 23 residues. The ditnrnsions of the corresponding infinite chains can be obtained. The approach is applicable if short-and medium-range in-Irmctions bct\Wcn monomers are predominant.
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A united-residue force field for off-lat
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Liwo, A.; O?dziej, S.; Pincus, M. R.; Wawak, R. J.; Rackovsky, S.; Scheraga, H.
📂
Article
📅
1997
🏛
John Wiley and Sons
🌐
English
⚖ 430 KB
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