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	Coarse grained modeling of biopolymers and proteins: methods and applications
	Dechang Li ; Baohua Ji ; Kehchi Hwang ; Yoggang Huang
	2010-10-12 ; 2010-10-12
关键词	Theoretical or Mathematical/ biomechanics continuum mechanics DNA enzymes molecular biophysics molecular dynamics method proteins/ coarse grained modeling biopolymer protein modeling single-molecule mechanics DNA mechanics RNA mechanics polypeptide continuum mechanics all-atom molecular dynamics method HIV-1 protease binding dynamics/ A8715H Biomolecular dynamics, molecular probes, molecular pattern recognition A3620C Macromolecular conformation (statistics and dynamics) A8745 Biomechanics, biorheology, biological fluid dynamics A8715B Biomolecular structure, configuration, conformation, and active sites
中文摘要	Single-molecule mechanics of DNA/RNA, polypeptide and protein has become a new frontier in life sciences. There is an increasing need in participant of researcher in applied mechanics to perform a systematic study on methodologies and basic sciences in molecular mechanics. The wide-applied continuum mechanics may not be applicable in study of the biomolecules. At the same time, the all-atom molecular dynamics method is severely limited by the size and time scales of systems it can simulate. As an alternative, coarse grained models have recently enjoyed intense interest. Coarse-grained representations combined with enhanced computer power currently allow the simulation of systems of biologically relevant size (submicrometric) and timescale (microsecond or millisecond). In this paper, we reported some progresses we made in the modeling of biomolecules using the coarse-grained methods including, the collapse of biopolymers, the dynamics of HIV-1 protease and the binding dynamics of inhibitors into the protease, aiming to stimulating a broader interest in developing molecular mechanics.
语种	英语
出版者	World Scientific Publishing Co. Pte. Ltd. ; Singapore
内容类型	期刊论文
源URL	[http://hdl.handle.net/123456789/79050]
专题	清华大学
推荐引用方式 GB/T 7714	Dechang Li,Baohua Ji,Kehchi Hwang,et al. Coarse grained modeling of biopolymers and proteins: methods and applications[J],2010, 2010.
APA	Dechang Li,Baohua Ji,Kehchi Hwang,&Yoggang Huang.(2010).Coarse grained modeling of biopolymers and proteins: methods and applications..
MLA	Dechang Li,et al."Coarse grained modeling of biopolymers and proteins: methods and applications".(2010).

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