Lucy-Forrest-Lab / Lucy-Forrest-Lab/hdxer_tutorials_livecoms

Developing advanced reweighting analysis tutorials

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@lucyforrest is already working on this.

Since Jan 21, 2022.

enhancement
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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.

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