Published November 2, 2021
| Version 1.1
Software
Open
samplchallenges/SAMPL7: Version 1.1: Update logP analysis; release PHIP2 analysis
Authors/Creators
- 1. @MobleyLab
- 2. University of California, Irvine
- 3. Chodera Lab
- 4. Memorial Sloan Kettering Cancer Center
- 5. University of California Irvine, USA
- 6. UC Irvine
Description
This release includes these additional updates:
- 2021-10-05: Update two logP/logD experimental values (SM41 and SM43) to reflect an error in the experimental values provided us, as discussed in a forthcoming erratum to the experimental study from the Ballatore lab.
- 2021-10-20: Update with details to Ballatore lab corrigendum
- 2021-10-26: Add PHIP2 protein-ligand analysis.
Files
samplchallenges/SAMPL7-1.1.zip
Files
(368.9 MB)
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md5:eee7989c18644cd278044a1db8a7c371
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Additional details
Related works
- Is supplement to
- https://github.com/samplchallenges/SAMPL7/tree/1.1 (URL)