Kinematics Study of Protein Chains and Protein Motion Simulation

机译：蛋白质链的运动学研究和蛋白质运动模拟

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Proteins play an essential role in biochemical processes. Few years ago, a new viewpoint arose within protein researches, based on the parallelisms between proteins and mechanisms. In this paper the authors present an approach to obtain protein motion paths based on computational kinematic considerations. A potential energy field formula for potential energy checks is presented. Additionally, a normalization algorithm with the purpose of reducing the errors in experimental data and obtaining more stable structures is introduced. Finally, the simulation process for a specific protein is presented.

机译：蛋白质在生化过程中起着至关重要的作用。几年前，基于蛋白质与机制之间的平行性，蛋白质研究出现了一个新观点。在本文中，作者提出了一种基于计算运动学考虑因素来获得蛋白质运动路径的方法。提出了用于势能检查的势能场公式。另外，引入归一化算法，其目的是减少实验数据中的误差并获得更稳定的结构。最后，介绍了特定蛋白质的模拟过程。

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来源
《Micromechanics and microactuators》|2010年|85-99ⅸ-xi|共18页
会议地点 Aachen(DE)
作者
V. Petuya; M. Diez; M. Urizar; A. Hernandez;
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作者单位

Department of Mechanical Engineering, University of the Basque Country, 48013, Bilbao, Spain;

Department of Mechanical Engineering, University of the Basque Country, 48013, Bilbao, Spain;

Department of Mechanical Engineering, University of the Basque Country, 48013, Bilbao, Spain;

Department of Mechanical Engineering, University of the Basque Country, 48013, Bilbao, Spain;

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原文格式 PDF
正文语种 eng
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关键词
Micromechanisms; Proteins; Kinematics;

机译：微观机制；蛋白质；运动学;

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专利

1. Time-Resolved Protein Side-Chain Motions Unraveled by High-Resolution Relaxometry and Molecular Dynamics Simulations [J] . Cousin Samuel F., Kaderavek Pavel, Bolik-Coulon Nicolas, Journal of the American Chemical Society . 2018,第41期

机译：高分辨率弛豫和分子动力学模拟揭示了时间分辨的蛋白质侧链运动
2. Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors [J] . Zied Gaieb, Dimitrios Morikis Computational and Structural Biotechnology Journal . 2017,第1期

机译：G蛋白偶联受体的分子动力学模拟中介导跨膜螺旋运动的侧链重排的检测。
3. Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins [J] . Tieleman DP, MacCallum JL, Ash WL, Journal of Physics. Condensed Matter . 2006,第28期

机译：具有统一原子脂质和全原子蛋白质模型的膜蛋白质模拟：脂质-蛋白质相互作用，侧链转移自由能和模型蛋白质
4. Kinematics Study of Protein Chains and Protein Motion Simulation [C] . V. Petuya, M. Diez, M. Urizar, Workshop on Micromechanics and Microactuators . 2012

机译：蛋白质链和蛋白质运动模拟的运动学研究
5. Protein Dynamics, Loop Motions and Protein-Protein Interactions Combining Nuclear Magnetic Resonance (NMR) Spectroscopy with Molecular Dynamics (MD) Simulations. [D] . Gu, Yina. 2016

机译：结合核磁共振（NMR）光谱和分子动力学（MD）模拟的蛋白质动力学，循环运动和蛋白质相互作用。
6. Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors [O] . Zied Gaieb, Dimitrios Morikis 2017

机译：G蛋白偶联受体的分子动力学模拟中介导跨膜螺旋运动的侧链重排的检测。
7. Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors [O] . Zied Gaieb, Dimitrios Morikis 2017

机译：在G蛋白偶联受体的分子动力学模拟中检测介导跨膜螺旋运动的侧链重排

Kinematics Study of Protein Chains and Protein Motion Simulation

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