Whole-Cell Models and Simulations in Molecular Detail

Michael Feig; Yuji Sugita

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Whole-Cell Models and Simulations in Molecular Detail

机译：分子细节的全细胞模型和模拟

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摘要

Comprehensive data about the composition and structure of cellular components have enabled the construction of quantitative whole-cell models.While kinetic network–type models have been established, it is also becoming possible to build physical, molecular-level models of cellular environments.This review outlines challenges in constructing and simulating such models and discusses near- and long-term opportunities for developing physical whole-cell models that can connect molecular structure with biological function.

机译：关于蜂窝元件的组成和结构的综合数据，使得已经建立了数量的全蜂窝模型。当建立了动态网络型模型时，也可以建立蜂窝环境的物理，分子级模型。本综述概述构建和模拟此类模型的挑战，并讨论了开发能够用生物学功能连接分子结构的物理整个细胞模型的附近和长期机会。

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《Annual review of cell and developmental biology》 |2019年第2019期|共21页
作者
Michael Feig; Yuji Sugita;
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作者单位

Department of Biochemistry and Molecular Biology Michigan State University;

Laboratory for Biomolecular Function Simulation RIKEN Center for Biosystems Dynamics Research;

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原文格式 PDF
正文语种 eng
中图分类细胞生物学;
关键词
crowding; systems biology; protein structure; molecular dynamics simulation; network models;

机译：拥挤;系统生物学;蛋白质结构;分子动力学模拟;网络模型;

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专利

1. Whole-Cell Models and Simulations in Molecular Detail [J] . Michael Feig, Yuji Sugita Annual review of cell and developmental biology . 2019,第期

机译：分子细节的全细胞模型和模拟
2. Influence of Simulation Details on Thermodynamic and Transport Properties in Molecular Dynamics of Fully Flexible Molecular Models [J] . Peter A. Gordon Molecular simulation . 2003,第8期

机译：全柔性分子模型的分子动力学中模拟细节对热力学和输运性质的影响
3. Atomistic details on the mechanism of organophosphates resistance in insects: Insights from homology modeling, docking and molecular updates dynamic simulation [J] . Moradi Sajad, Khani Solmaz, Ansari Mohabbat, Journal of Molecular Liquids . 2019,第期

机译：关于昆虫抗性机理的原子细节：具有同源性建模，对接与分子更新的洞察力动态模拟
4. Parallel Stochastic Simulation of Whole-Cell Models [C] . Markus Schwehm International Conference on Architecture of Computing Systems . 2002

机译：全细胞模型的并行随机仿真
5. Multiple disciplinary modeling and reproduction of physical phenomena with computer simulations at high and low atomic detail. [D] . DeMille, Robert Curtis. 2012

机译：多学科建模和物理现象重现，并通过计算机模拟高低原子细节。
6. An NMDA Receptor Gating Mechanism Developed from MD Simulations Reveals Molecular Details Underlying Subunit-Specific Contributions [O] . Jian Dai, Huan-Xiang Zhou 2013

机译：通过MD模拟开发的NMDA受体门控机制揭示了亚基特异性贡献背后的分子细节
7. Molecular details of protein condensates probed by microsecond-long atomistic simulations [O] . Wenwei Zheng, Gregory L. Dignon, Xichen Xu, 2020

机译：通过微秒长的原子模拟探测蛋白质凝聚物的分子细节

Whole-Cell Models and Simulations in Molecular Detail

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