Zhe Li

Orcid: 0000-0002-9357-6839

Affiliations:
  • Sun Yat-Sen University, School of Pharmaceutical Sciences, Guangzhou, China


According to our database1, Zhe Li authored at least 8 papers between 2013 and 2025.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Bibliography

2025
Deciphering Glutaminyl Cyclase Catalytic Pathways Enables Recognition of Anchor Pharmacophores for Inhibitor Discovery.
J. Chem. Inf. Model., 2025

2023
Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function.
J. Chem. Inf. Model., December, 2023

3D-SMGE: a pipeline for scaffold-based molecular generation and evaluation.
Briefings Bioinform., September, 2023

An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations.
J. Chem. Inf. Model., January, 2023

Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19.
Int. J. High Perform. Comput. Appl., 2023

2017
Discovery of Novel Phosphodiesterase-2A Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay.
J. Chem. Inf. Model., 2017

2013
Identification of Novel Phosphodiesterase-4D Inhibitors Prescreened by Molecular Dynamics-Augmented Modeling and Validated by Bioassay.
J. Chem. Inf. Model., 2013

The Molecular Basis for the Selectivity of Tadalafil toward Phosphodiesterase 5 and 6: A Modeling Study.
J. Chem. Inf. Model., 2013


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