Yaoquan Tu

17PUBLICATIONS
21CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Computational chemistryBiomolecular modelling and designGeodynamicsCheminformatics and quantitative structure-activity relationships
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Publications (17)

|Jun 24, 2026
Generative Replica Exchange: A Flow-Based Framework for Accelerating Replica-Exchange Simulations.

|Feb 03, 2025
RADE: A reduced approach to density-functional expansion.

Yaoquan Tu, Aatto Laaksonen

|Jul 25, 2024
Dynamics Playing a Key Role in the Covalent Binding of Inhibitors to Focal Adhesion Kinase.

Yiling Liu, Jundong Tan, Shiliang Hu

|Jan 26, 2023
Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems.

Yihao Zhao, Jintu Zhang, Haotian Zhang

|Dec 02, 2022
Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4.

Yang Zhou, Junhao Li, Glib Baryshnikov

|Jul 25, 2022
Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators.

Dan Teng, Yang Zhou, Yun Tang

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Frequent Collaborators

5 joint publications

Yang Zhou

4 joint publications

Hans Ågren

3 joint publications

Rongfeng Zou

3 joint publications

Guanglin Kuang