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通过分子建模方法探索半胱天冬酶突变和翻译后修饰

JoVE Journal
Biology
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JoVE Journal Biology

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

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通过分子建模方法探索半胱天冬酶突变和翻译后修饰

DOI:

10.3791/64206-v

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05:56 min

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October 13, 2022

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Dmitry K. Nilov, Alexey V. Zamaraev, Boris Zhivotovsky³, Gelina S. Kopeina

¹Belozersky Institute of Physicochemical Biology,Lomonosov Moscow State University, ²Faculty of Medicine,Lomonosov Moscow State University, ³Division of Toxicology, Institute of Environmental Medicine,Karolinska Institute

Chapters

00:04Introduction
01:05System Preparation
02:25Energy Minimization
03:16Heating, Equilibration, and Production Dynamics
04:36Results: Biomolecular Simulation of the Wild-Type Caspase and its Mutant Form
05:27Conclusion

Summary

Automatic Translation

本协议使用生物分子模拟包，并描述了用于模拟野生型半胱天冬酶及其突变形式的分子动力学（MD）方法。MD方法允许评估半胱天冬酶结构的动态演变以及突变或翻译后修饰的潜在影响。

Tags

Caspase Post-translational Modification Molecular Modeling Molecular Dynamics Protein Structure Cell Death Amber Energy Minimization Molecular Mechanics

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