MOLECULAR-DYNAMICS SIMULATION INVACUO AND IN SOLUTION OF CYCLOLINOPEPTIDE-A - A CONFORMATIONAL STUDY

被引:28
|
作者
SAVIANO, M [1 ]
AIDA, M [1 ]
CORONGIU, G [1 ]
机构
[1] NAPLES UNIV,DIPARTMENTO CHIM,CNR,CTR STUDIO BIOCRISTALLOG,I-80134 NAPLES,ITALY
关键词
D O I
10.1002/bip.360310811
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 conformation of cyclolinopeptide A [c-(Pro-Pro-Phe-Phe-Leu-Ile-Ile-Leu-Val)), a naturally occurring peptide with remarkable cytoprotective activity, has been investigated by means of molecular dynamics simulations in various molecular environments. Structural and dynamical properties have been analyzed and compared with those experimentally determined. A detailed analysis of hydrogen bonds is reported.
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页码:1017 / 1024
页数:8
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