Ho Leung Ng

This paper introduces a computational pipeline for identifying SARS-CoV-2 nsp14 inhibitors using virtual screening, identifying seven candidates including NSC620333 and SS148, with experimental validation of binding affinity and structural insights.

This paper develops a new genetically encoded fluorescent cAMP indicator, G-Flamp1, which shows high sensitivity, brightness, and fast response kinetics for in vivo cAMP imaging.

The paper introduces ConDock, a method for predicting ligand binding sites in GPCRs using docking and sequence conservation, showing improved accuracy over traditional methods.

The paper develops a deep neural network model for predicting BACE ligand binding affinities, achieving a Spearman rank correlation of 0.43(7) in the D3R Grand Challenge 4.

The paper predicts the ligand binding sites for GPER using a hybrid scoring function that combines sequence conservation and docking results, identifying a deeper binding site than previous studies.