Lucy-Forrest-Lab / Lucy-Forrest-Lab/hdxer_tutorials_livecoms
Developing advanced reweighting analysis tutorials
@lucyforrest is already working on this.
Since Jan 21, 2022.
- Dominant language
- TeX
- Stars
- 5
- Forks
- 1
- PR merge metrics
- No merged PRs in 30d
Description
During the review of v1.0, it was suggested:
_"It could be nice to include additional tutorials that demonstrate some of the ideas discussed in Section 6 for improving robustness such as “leave-one-out” cross validation for experimental datasets or bootstrapping uncertainties for HDXer predictions"_
Additional tutorials would certainly demonstrate some of the key concepts in analyzing HDXer applications more clearly - this issue can be used to track the development of those tutorials, and any potential future article versions related to these additions.
Current issues:
- Curate sufficient publicly-available experimental (and computational) data, e.g. for proteins with tightly-defined uncertainties in HDX-MS measurements, with exhaustive MD simulations, or with well-characterized multiple conformations
- Design and create tutorials demonstrating robustness checks for experimental errors, precision of computed HDX-MS and reweighted population estimates, or conformational sampling of the candidate ensemble.
Contributor guide
No contributing guide indexed for this repository
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Assessment
This issue has not been assessed yet.