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An overview of recent SAMPL challenges, lessons learned, and new directions
- Publication Year :
- 2022
- Publisher :
- Zenodo, 2022.
-
Abstract
- This presentation was given at the recent GCC/EuroSAMPL workshop in Germany on May 11, 2020, and gives an overview of recent SAMPL work and where it is headed.&nbsp
- Subjects :
- Computational chemistry
Blind challenges
pKa
SAMPL
logD
binding free energies
Subjects
Details
- Language :
- English
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....5991d98c81cab364caba95f2e0730ef7
- Full Text :
- https://doi.org/10.5281/zenodo.6581734