Table of contents
There are a number of projects I want to start, time permitting. The goal is to try and do some protein simulations, computational chemistry (esp docking), and some bioinformatics, mostly as proofs of concept. Part of the reason to do so is to just keep in touch with my scientific side, the other is to explore data exchange, workflow systems and cloud computing. Definitely want to try and leverage EC2 where possible
Project Ideas
- MD Simulations of small systems
- Try out various MD packages, especially new ones
- Only open source packages
- Docking calculations
- Trying out some of the new open libraries, and perhaps some new methods for virtual screening
- Protein structure prediction
- Function prediction/classification
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