Research advances in protein structure dynamics
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摘要:
蛋白质是生物体赖以存在和生长的重要大分子有机化合物,由20种不同的氨基酸通过肽键连接成线性高分子链,具有特殊的三维空间结构. 蛋白质生物功能与结构动力学特征紧密相关,不同结构运动模式决定了蛋白质在生化过程中的不同生物功能.给定一种蛋白质的空间结构, 通过建立结构动力学模型,进而得到蛋白质结构的运动轨迹,或者将结构整体运动分解为不同频率振动模态的叠加,能够帮助进一步理解蛋白质生物活性点在配体结合、催化过程中的运动特征.阐述了蛋白质结构动力学研究的最新进展,分析了3种蛋白质结构动力学的物理模型和求解方法,详细讨论了谐波模型中的原子模态分析、弹性网络模型等动力学方法,并介绍了蛋白质结构动力学在生物研究领域的应用.蛋白质结构动力学方法的研究和发展表明,从物理原理和简化模型出发的理论分析方法,能够为生物学前沿研究提供有力帮助,是蛋白质折叠和结构预测中的一个重要研究方向.
Abstract:Protein is animportant macro molecular organic compound that body need tomaintain itself and grow. Proteins are linear polymers made of 20kinds of amino acids linked by peptide bonds, which fold intounique 3-dimensional structures. Biological functions are closelyrelated to protein structure dynamics, and different proteinstructures generate accordingly different biological functions inbiochemistry process. For a protein structure, structure dynamicsmodels can produce protein movement trajectories, or decomposecollective motions into a combination of independent harmonicoscillators with different frequencies. In this way, many of thosefunctional motions of active sites can be analyzed in detail andunderstood that occur in numerous biological phenomena, such asligand binding and catalytic activity of enzymes. This studyelucidates the latest advances in protein structure harmonicdynamics. Three important physical models are analyzed, andcomputation methods are discussed for protein dynamics. Detailedformulations are given for harmonic dynamics model, includingatomic normal modes analysis (NMA), elastic network model (ENM)and other dynamics methods. Some applications of structuredynamics methods are presented with respect to biologicalresearch. Highlighted by recent advances in protein structuredynamics, it is clear that theoretical methods based on physicalprinciple and simplified models can lend important supports tofrontier research in biology, and protein structure dynamicsbecomes now an important research direction in protein folding andprotein structure prediction.
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