Zhe Li

18PUBLICATIONS
16CO-AUTHORS
Chemical thermodynamics and energeticsFormal methods for softwareMolecular targetsComputational chemistryGlycoconjugates
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Publications (18)

|Aug 11, 2026
Charged Systems in Absolute Binding Free Energy Calculations: An Analytical Electrostatic Approach.

|Jul 02, 2026
BFEE-Docking: A User-Friendly and Customizable End-to-End Tool from High-Throughput Virtual Screening to Binding Free-Energy Calculations.

|Feb 13, 2026
An Orally Available Telomeric G-Quadruplex Ligand Induces Telomere Crisis and Dual DNA/RNA-Sensing Innate Immunity for Cancer Therapy.

Jiong-Heng Cai, Yao-Hui Shi, Dan-Yan Yang

|Dec 31, 2025
ALCHEMD: Bridging Accessibility and Accuracy in Automated Relative Binding Free Energy Workflows.

Runduo Liu, Yilin Zhong, Yufen Yao

|Jun 03, 2025
State Function-Based Correction: A Simple and Efficient Free-Energy Correction Algorithm for Large-Scale Relative Binding Free-Energy Calculations.

Runduo Liu, Yijun Lai, Yufen Yao

|May 14, 2025
Deciphering Glutaminyl Cyclase Catalytic Pathways Enables Recognition of Anchor Pharmacophores for Inhibitor Discovery.

Jing-Wei Wu, Xiang-Li Ning, Biao-Dan Tang

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Frequent Collaborators

6 joint publications

Runduo Liu

5 joint publications

Hai-Bin Luo

3 joint publications

Chang-Guo Zhan

3 joint publications

Xin Wang