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D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free

Conor D Parks1, Zied Gaieb1, Michael Chiu1

  • 1Drug Design Data Resource, University of California, San Diego, La Jolla, CA, 92093, USA.

Journal of Computer-Aided Molecular Design
|January 25, 2020
PubMed

Keywords:
Blinded prediction challengeD3RDockingFree-energyLigand rankingScoring

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