Wenjin Liu

When DL-Based Prescreening Meets Synthon-Based Docking: Target-Adapting PharmacoNet via MEL-Steered Correction

The paper adapts a general pharmacophore prescreening method to specific targets using fragment-docking data from the V-SYNTHES pipeline, improving its performance without additional data or retraining.

Metric Ion Classification (MIC): A deep learning tool for assigning ions and waters in cryo-EM and x-ray crystallography structures

The paper introduces a deep learning tool called Metric Ion Classification (MIC) to classify ions and waters in cryo-EM and x-ray crystallography structures, identifying mismodeled ions in the PDB.