Zhe Li

17PUBLICATIONS

15CO-AUTHORS

Formal methods for softwareMolecular targetsComputational chemistryGlycoconjugatesBiomolecular modelling and design

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Publications (17)

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|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

|Mar 24, 2025

Divide-and-Conquer ABFE: Improving Free Energy Calculations by Enhancing Water Sampling.

Runduo Liu, Yufen Yao, Wanyi Huang

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Frequent Collaborators

Runduo Liu

Hai-Bin Luo

Chang-Guo Zhan

Xin Wang

Chao Xu

Chengkun Wu

Guo-Bo Li

Gui-Hong Chai

Tian-Miao Ou

Jia-Heng Tan

Frequent Collaborators

Runduo Liu

Hai-Bin Luo

Chang-Guo Zhan

Xin Wang