Computer simulation studies of the fully solvated wild-type and mutated GnRH in extended and β-turn conformations

被引：12

作者：

Mezei, M

Guarnieri, F

机构：

[1] CUNY Mt Sinai Sch Med, Dept Physiol & Biophys, New York, NY 10029 USA

[2] Sarnoff Corp, Princeton, NJ 08543 USA

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 1998年 / 16卷 / 03期

关键词：

D O I：

10.1080/07391102.1998.10508284

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The conformational preference of the gonadotropin-releasing hormone (GnRH) and its Lys-8 mutant, studied earlier with a continuum model, was revisited using an explicit solvent model and thermodynamic integration to calculate the solvents contribution to the conformation-dependence of its free energy. In addition, the Proximity Criterion was used to further analyze the effects of conformational changes.

引用

页码：723 / +

页数：9

共 40 条

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[2]

Ben-Naim A., 1974, Water and Aqueous Solutions, Introduction to Molecular Theory

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