A reinforcement learning approach for protein-ligand binding pose prediction

HIGHLIGHTS

• who: Chenran Wang from the Department of Statistics, Florida State University, Tallahassee, FL, u20114330, USA have published the paper: A reinforcement learning approach for protein-ligand binding pose prediction, in the Journal: (JOURNAL)
• what: The authors focus on developing models for single atoms and small multi-atom ligands in this study and the models are ligand specific. It is analogous to the maze problem in reinforcement learning: the authors need a model which is reasonable enough to guide the object in the environment to the goal and adjust the ligand pose to bind with the . . .
  

   

  

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