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Journal
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Biochemistry
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通过分子动力学模拟破译激活EGFR体电突变的结构效应
JoVE Journal
Biochemistry
This content is Free Access.
JoVE Journal
Biochemistry
Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
Please note that all translations are automatically generated.
Click here for the English version.
通过分子动力学模拟破译激活EGFR体电突变的结构效应
DOI:
10.3791/61125-v
•
15:05 min
•
May 20, 2020
•
Mahlet Z. Tamirat
,
Kari J. Kurppa
,
Klaus Elenius
3,4
,
Mark S. Johnson
1
Structural Bioinformatics Laboratory, Biochemistry, Faculty of Science and Engineering
,
Åbo Akademi University
,
2
Medicity Research Laboratories and Institute of Biomedicine
,
University of Turku
,
3
Turku Bioscience Centre
,
University of Turku and Åbo Akademi University
,
4
Department of Oncology and Radiotherapy
,
University of Turku and Turku University Hospital
Chapters
00:04
Introduction
00:47
Structure Preparation
04:12
System Setup
05:17
Molecular Dynamics Simulation
07:15
Visual Inspection Analysis
08:29
Root-Mean Square Deviation (RMSD) and Root-Mean Square Fluctuation (RMSF) Analysis
09:58
Hydrogen Bond Analysis
10:57
Free Energy Calculations
12:25
Representative Results: Molecular Dynamics Simulation of EGFR Somatic Mutations
14:23
Conclusion
Summary
Automatic Translation
English (Original)
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Automatic Translation
该协议的目的是利用分子动力学模拟来检查由于EGFR激酶蛋白的激活突变而发生的动态结构变化。
Tags
Molecular Dynamics Simulation
EGFR
Somatic Mutations
Protein Structure
Kinase
Conformational Changes
Ligand Binding
Cancer
Wild-type
Deletion Mutant
Active
Inactive
Asymmetric Dimer
Kymera
Protein Data Bank
Modeling
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