AN ANALYSIS OF VAN-DER-WAALS ATTRACTIVE FORCES IN DNA-MINOR GROOVE BINDING

被引：10
|
作者：
SAUERS, RR
机构：
[1] Department of Chemistry Rutgers, The State University of New Jersey, New Brunswick
来源：
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 1995年 / 5卷 / 21期
关键词：
D O I：
10.1016/0960-894X(95)00438-Y
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
Force field methodology (AMBER) has been used in conjunction with X-ray crystallographic data to evaluate the importance of attractive van der Waals forces in complexes of d(CGCGAATTCGCG)(2), d(CGCAAATTTGCG)(2), and d(CGCGTTAACGCG)(2) with a variety of ligands. Large negative energies were obtained (-128 to -246 kJ/mol) which, with exception of netropsin, were insensitive to base-pair sequence.
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页码：2573 / 2576
页数：4
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