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Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
This content is Free Access.
1Structural Bioinformatics Laboratory, Biochemistry, Faculty of Science and Engineering,Åbo Akademi University, 2Medicity Research Laboratories and Institute of Biomedicine,University of Turku, 3Turku Bioscience Centre,University of Turku and Åbo Akademi University, 4Department of Oncology and Radiotherapy,University of Turku and Turku University Hospital
Capítulos
- 00:04Introduction
- 00:47Structure Preparation
- 04:12System Setup
- 05:17Molecular Dynamics Simulation
- 07:15Visual Inspection Analysis
- 08:29Root-Mean Square Deviation (RMSD) and Root-Mean Square Fluctuation (RMSF) Analysis
- 09:58Hydrogen Bond Analysis
- 10:57Free Energy Calculations
- 12:25Representative Results: Molecular Dynamics Simulation of EGFR Somatic Mutations
- 14:23Conclusion
