This module will provide an introduction to the theory and practice of computer-based molecular modelling techniques such as molecular mechanics and dynamics, homology modeling and molecular docking that are becoming increasingly important to the practice of Structural Biology.
[toc]Dr Arvind Varsani (Electron Microscope Unit) has a Pharmaceutical Chemistry and Molecular Biology background. He will present lectures on various aspects of virus structures, assist in the electron microscopy module and provide molecular biology support for the programme. Dr Muhammed Sayed, Department of Biotechnology (UWC), is a protein crystallographer who completed his post-doctoral studies under Professor Tom Blundell at Cambridge University. He will supervise the web-courses in protein structure and protein crystallography. His goal is to develop protein crystallography as a practical discipline. Lecturers also include Kevin Naidoo, Michelle Kuttel and Colin Kenyon.
The ability to:
- understand the principles of molecular modeling and homology modelling,
- use appropriate software to perform optimizations of molecular structures, run molecular dynamics calculations, perform normal mode analysis, create a homologous structure model from a know structure and perform molecular docking calculations.
This module descriptor document also can be downloaded as an MS-Word document.
- Molecular Mechanics
- Molecular Dynamics
- Structure based sequence alignment
- Homology modeling
- Molecular docking
- NAMD Tutorial (Unix/MacOSX)
- Zipped sets:
- Molecular Modelling
- Docking into EM Maps
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