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Your search keyword '"Bergazin, Danielle"' showing total 4 results
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1. An overview of recent SAMPL challenges, lessons learned, and new directions

Author

Mobley, David, Amezcua, Martin, Bergazin, Danielle, and Nandkeolyar, AK

Subjects
Computational chemistry, Blind challenges, pKa, SAMPL, logD, binding free energies
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

Published
2022
Full Text
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