AMBER Workshop 2014
Date: 02/Jun/2014 Time: 09:00 - 06/Jun/2014 Time: 19:00
Target group: The target audience is graduate students and postdocs as well as a few faculty interested in learning about Molecular Dynamics techniques. The course is designed to introduce Molecular Dynamics techniques from an introductory perspective but will progress quickly. Some experience with the Linux operating system is essential but experience with AMBER or other molecular dynamics packages is not required
Cost: Registration fees are 190 euros.
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The duration of the meeting is 5 days, from 2nd of June to 6th. Typically there will be lectures 3 hours per day, and hands-on tutorials, about 5 hours per day. The content of the Workshop will include:
- Molecular Dynamics with Amber
- Using VMD to visualize AMBER
- Dealing with non-standard residues
- Building protein-ligand complexes
- Statistical Mechanics for Free Energy Calculations
- MM/PBSA calculations
- Calculating relative binding free energies for protein/carbohydrate complexes
- Enhanced sampling techniques
- Maximizing Performance (Parallel Execution and NVIDIA GPU Acceleration)
- Umbrella sampling simulations
- Analyzing Simulations
- Introduction to QM/MM Calculations
- Lipid Simulations with AMBER