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Runduo Liu

6PUBLICATIONS

7CO-AUTHORS

Computational chemistryPharmacogenomicsBiomolecular modelling and designMedical molecular engineering of nucleic acids and proteinsCharacterisation of biological macromolecules

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Publications (6)

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|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

|Sep 03, 2021

Reply to Behnam and Klein: Potential role of the His-tag in C-terminal His-tagged SARS-CoV-2 main protease.

Zhe Li, Runduo Liu, Chang-Guo Zhan

|Feb 11, 2021

Reply to Ma and Wang: Reliability of various in vitro activity assays on SARS-CoV-2 main protease inhibitors.

Zhe Li, Yuxi Lin, Yi-You Huang

|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

5 joint publications

Zhe Li

3 joint publications

Chang-Guo Zhan

3 joint publications

Xin Wang

3 joint publications

Hai-Bin Luo

1 joint publications

Chengkun Wu

1 joint publications

Qian Zhou

1 joint publications

Chen Zhang

Frequent Collaborators

5 joint publications

Zhe Li

3 joint publications

Chang-Guo Zhan

3 joint publications

Xin Wang

3 joint publications

Hai-Bin Luo

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