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Performance and Analysis of the Alchemical Transfer Method for Binding-Free-Energy Predictions of Diverse Ligands.

Lieyang ChenYujie WuChuanjie WuAna SilveiraWoody ShermanHuafeng XuEmilio Gallicchio
Published in: J. Chem. Inf. Model. (2024)
Keyphrases
  • dynamic programming
  • closed form
  • free energy
  • prior knowledge
  • distributed systems
  • missing data