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	生物分子/ATP分子马达的力学和自组集粗大晶粒模拟(英文)
	季葆华 ; Baohua Ji
	2010-07-15 ; 2010-07-15
会议名称	2006年全国固体力学青年学者研讨会论文摘要文集 ; 2006年全国固体力学青年学者研讨会 ; 中国四川成都 ; CNKI ; 国家自然科学基金委员会数理学部、中国力学学会
关键词	TB39
其他题名	Coarse Grained Modeling of Self-Assembly and Mechanics of Biomolecules/ATP Molecular Motor
中文摘要	<正>Biomolecules are basic building blocks of"soft matter"systems,such as cells, extracellular matrix and various biological materials.In addition,biomolecules take crucial roles in the growth and mechanical behaviors of biomaterials.Knowledge on self-assembly and mechanics of biomolecules is very important for our understanding on the behaviors of biological systems[1,2].As biomolecules usually have huge molecular mass and long relaxation time,it is very difficult to study their mechanical behaviors with full-atom molecular dynamics simulation.In this work,a coarse-graded model for biomolecules is adopted,by which the biomolecules can be simplified to be the bead-spring systems.With the coarse-graded potentials the interactions between the functional groups or domains on biomolecules can be specifically defined.The self-assembly of biomolecules are then simulated at various parameters,such as chain stiffness,domain size,hydrophobic/hydrophilic properties of domains and the size of confinement.We try to demonstrate how to control the pattern and structure of biomolecules which should have important application in synthesis of nanocomposites for mechanical engineering and medical application.We show that although the hydrophobic and hydrophilic interactions act as the driving force for the self-assembly of the biomolecules,the competition between local and nonlocal hydrophobic interaction is crucial for the formation of structural patterns[3].Finally,I would also introduce some new progresses in our modeling of deformation of globular protein with coarse grained principle,such as ATP molecular motor.Through these studies,we find that collective motion of domains of biomolecules(such as globular proteins) can be modeled with similar concepts used in solid mechanics.This might open a wide way for us to explore mysteries of biological systems with some basic concepts of solid mechanics.; Biomolecules are basic building blocks of"soft matter"systems,such as cells, extracellular matrix and various biological materials.In addition,biomolecules take crucial roles in the growth and mechanical behaviors of biomaterials.Knowledge on self-assembly and mechanics of biomolecules is very important for our understanding on the behaviors of biological systems[1,2].As biomolecules usually have huge molecular mass and long relaxation time,it is very difficult to study their mechanical behaviors with full-atom molecular dynamics simulation.In this work,a coarse-graded model for biomolecules is adopted,by which the biomolecules can be simplified to be the bead-spring systems.With the coarse-graded potentials the interactions between the functional groups or domains on biomolecules can be specifically defined.The self-assembly of biomolecules are then simulated at various parameters,such as chain stiffness,domain size,hydrophobic/hydrophilic properties of domains and the size of confinement.We try to demonstrate how to control the pattern and structure of biomolecules which should have important application in synthesis of nanocomposites for mechanical engineering and medical application.We show that although the hydrophobic and hydrophilic interactions act as the driving force for the self-assembly of the biomolecules,the competition between local and nonlocal hydrophobic interaction is crucial for the formation of structural patterns[3].Finally,I would also introduce some new progresses in our modeling of deformation of globular protein with coarse grained principle,such as ATP molecular motor.Through these studies,we find that collective motion of domains of biomolecules(such as globular proteins) can be modeled with similar concepts used in solid mechanics.This might open a wide way for us to explore mysteries of biological systems with some basic concepts of solid mechanics.; supported by the National Natural Science Foundation of China through grant no.10442002,10502031; National Basic Research Program of China through grant no.2004CB619304; Basic Research Foundation of Tsinghua University(grant no JCqn2005031) and SRF for ROCS,SEM
语种	英语 ; 英语
内容类型	会议论文
源URL	[http://hdl.handle.net/123456789/67058]
专题	清华大学
推荐引用方式 GB/T 7714	季葆华,Baohua Ji. 生物分子/ATP分子马达的力学和自组集粗大晶粒模拟(英文)[C]. 见:2006年全国固体力学青年学者研讨会论文摘要文集, 2006年全国固体力学青年学者研讨会, 中国四川成都, CNKI, 国家自然科学基金委员会数理学部、中国力学学会.

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