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	Oscillatory molecular driving force for protein folding at high concentration: A molecular simulation
	Lu, Diannan ; Liu, Zheng
	2010-05-07 ; 2010-05-07
关键词	MODEL POLYGLUTAMINE PEPTIDES SPONTANEOUS FIBRIL FORMATION ION-EXCHANGE CHROMATOGRAPHY DYNAMICS SIMULATIONS ARTIFICIAL CHAPERONE UREA GRADIENT HUMAN-DISEASE IN-VITRO AGGREGATION LYSOZYME Chemistry, Physical
中文摘要	This paper presents a Langevin dynamics simulation that suggests a novel way to fold protein at high concentration, a fundamental issue in neurodegenerative diseases in vivo and the production of recombinant proteins in vitro. The simulation indicates that the folding of a coarse-grained beta-barrel protein at high concentration follows the "collapse-rearrangement" mechanism but it yields products of various forms, including single proteins in the native, misfolded, and uncollapsed forms and protein aggregates. Misfolded and uncollapased proteins are the "nucleus" of the aggregates that also encapsulate some correctly folded proteins (native proteins). An optimum hydrophobic interaction strength (epsilon(p)*) between the hydrophobic beads of the model protein, which results from a compromise between the kinetics of collapse and rearrangement, is P identified for use in increasing the rate of folding over aggregating. Increased protein concentration hinders the structural transitions in both collapse and rearrangement and thus favors aggregation. A new method for protein folding at high concentration is proposed, which uses an oscillatory molecular driving force to promote the dissociation of aggregates in the low epsilon(p)* regime while promoting folding at a high epsilon(p)*. The advantaue of this method in enhancing protein folding while depressing aggregation is illustrated by a comparison with the methods based on direct dilution or applying a denaturant gradient.
语种	英语 ; 英语
出版者	AMER CHEMICAL SOC ; WASHINGTON ; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/17182]
专题	清华大学
推荐引用方式 GB/T 7714	Lu, Diannan,Liu, Zheng. Oscillatory molecular driving force for protein folding at high concentration: A molecular simulation[J],2010, 2010.
APA	Lu, Diannan,&Liu, Zheng.(2010).Oscillatory molecular driving force for protein folding at high concentration: A molecular simulation..
MLA	Lu, Diannan,et al."Oscillatory molecular driving force for protein folding at high concentration: A molecular simulation".(2010).

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