RESIDUE SOLVENT ACCESSIBILITIES IN THE UNFOLDED POLYPEPTIDE-CHAIN

被引：20

作者：

ZIELENKIEWICZ, P ^{[1
]}

SAENGER, W ^{[1
]}

机构：

[1] FREE UNIV BERLIN,INST KRISTALLOG,W-1000 BERLIN 33,GERMANY

来源：

BIOPHYSICAL JOURNAL | 1992年 / 63卷 / 06期

关键词：

D O I：

10.1016/S0006-3495(92)81746-0

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

The difference of solvent accessibilities in the native and unfolded states of the protein is used as a measure of the hydrophobic contribution to the free energy of folding. We present a new approximation of amino acids solvent accessibilities in the unfolded state based on the 1-ns molecular dynamics simulation of Ala-X-Ala tripeptides at a temperature of 368 K. The standard accessibility values averaged from the molecular dynamics study are significantly lower from those previously obtained by considering only selected conformations of Ala-X-Ala tripeptides.

引用

页码：1483 / 1486

页数：4

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