Spontaneous dimer states of the Aβ21-30 decapeptide

被引：6
|
作者：
Smith, Micholas Dean [1 ]
Rao, J. Srinivasa [2 ]
Cruz, Luis [1 ]
机构：
[1] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA
[2] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2014年 / 16卷 / 26期
关键词：
AMYLOID-BETA-PROTEIN; MOLECULAR-DYNAMICS SIMULATIONS; SECONDARY STRUCTURE ASSIGNMENT; ALZHEIMERS-DISEASE; A-BETA; ORGANIC LIQUIDS; 21-30; FRAGMENT; IN-SILICO; PEPTIDE; OLIGOMERS;
D O I：
10.1039/c4cp01090f
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Constant temperature and replica-exchange molecular dynamics simulations of two A beta(21-30) decapeptides in explicit solvent reveal metastable dimer states that are abundant near physiological temperatures. As Alzheimer's disease is associated with the neurotoxic oligomers of amyloid beta-protein, the formation of these dimers provides insight into oligomer assembly.
引用
收藏
页码：13069 / 13073
页数：5
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