Difference between revisions of "Biomolecular sampling"
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(Created page with "Here are some thoughts for biomolecular sampling. *Protein folding **Multicanonical **Umbrella sampling **Metadynamics *Sidechain motion *Rigid body motion") |
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*Protein folding | *Protein folding | ||
**Multicanonical | **Multicanonical | ||
| − | **Umbrella sampling | + | **Umbrella sampling |
| + | ***[http://www.sciencedirect.com/science/article/pii/0021999177901218 Torrie and Valleau] The original paper on umbrella sampling | ||
| + | ***Other papers | ||
**Metadynamics | **Metadynamics | ||
*Sidechain motion | *Sidechain motion | ||
| + | |||
*Rigid body motion | *Rigid body motion | ||
| + | |||
| + | General Issues | ||
| + | *Defining collective variables | ||
Revision as of 13:30, 14 June 2011
Here are some thoughts for biomolecular sampling.
- Protein folding
- Multicanonical
- Umbrella sampling
- Torrie and Valleau The original paper on umbrella sampling
- Other papers
- Metadynamics
- Sidechain motion
- Rigid body motion
General Issues
- Defining collective variables