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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 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