Runduo Liu

8PUBLICATIONS
10CO-AUTHORS
Autonomic nervous systemChemical thermodynamics and energeticsComputational chemistryPharmacogenomicsBiomolecular modelling and design
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Publications (8)

|Aug 19, 2026
A Niacin-α-Lipoic Acid Hybrid Ameliorates Alzheimer's Disease Pathology in Mouse Models.

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

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

Runduo Liu, Yilin Zhong, Yufen Yao

|Feb 13, 2025
Molecular Dynamics-Assisted Discovery of Novel Phosphodiesterase-5 Inhibitors Targeting a Unique Allosteric Pocket.

Weihao Luo, Runduo Liu, Xinlin Cai

|Apr 11, 2024
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19.

Zhe Li, Chengkun Wu, Yishui Li

|Oct 14, 2020
Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs.

Zhe Li, Xin Li, Yi-You Huang

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Frequent Collaborators

6 joint publications

Zhe Li

3 joint publications

Chang-Guo Zhan

3 joint publications

Xin Wang

3 joint publications

Hai-Bin Luo