Yaoquan Tu

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
Generative Replica-Exchange: A Flow-based Framework for Accelerating Replica Exchange Simulations.
CoRR
Shengjie Huang, Sijie Yang, Jianqiao Yi, Rui Zheng, Haocong Liao, Muzammal Hussain, Yaoquan Tu, Xiaoyun Lu, Yang Zhou
2024 J jnl
Dynamics Playing a Key Role in the Covalent Binding of Inhibitors to Focal Adhesion Kinase.
J. Chem. Inf. Model.
Yiling Liu, Jundong Tan, Shiliang Hu, Muzammal Hussain, Chang Qiao, Yaoquan Tu, Xiaoyun Lu, Yang Zhou
2023 J jnl
Correction to "Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4".
J. Chem. Inf. Model.
Yang Zhou, Junhao Li, Glib Baryshnikov, Yaoquan Tu
2022 J jnl
Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators.
J. Chem. Inf. Model.
Dan Teng, Yang Zhou, Yun Tang, Guixia Liu, Yaoquan Tu
2022 J jnl
Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4.
J. Chem. Inf. Model.
Yang Zhou, Junhao Li, Glib Baryshnikov, Yaoquan Tu
2021 J jnl
Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies.
J. Chem. Inf. Model.
Junhao Li, Yue Chen, Yun Tang, Weihua Li, Yaoquan Tu
2020 J jnl
Dissecting the Structural Plasticity and Dynamics of Cytochrome P450 2B4 by Molecular Dynamics Simulations.
J. Chem. Inf. Model.
Junhao Li, Yang Zhou, Yun Tang, Weihua Li, Yaoquan Tu
2020 J jnl
Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2.
J. Chem. Inf. Model.
Rongfeng Zou, Yang Zhou, Yong Wang, Guanglin Kuang, Hans Ågren, Junchen Wu, Yaoquan Tu
2019 J jnl
Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes.
J. Chem. Inf. Model.
Yang Zhou, Rongfeng Zou, Guanglin Kuang, Bengt Långström, Christer Halldin, Hans Ågren, Yaoquan Tu
2011 J jnl
A Mechanistic Hypothesis for the Cytochrome P450-Catalyzed Cis-Trans Isomerization of 4-Hydroxytamoxifen: An Unusual Redox Reaction.
J. Chem. Inf. Model.
Li Gao, Yaoquan Tu, Pia Wegman, Sten Wingren, Leif A. Eriksson
2011 J jnl
Conformational Enantiomerization and Estrogen Receptor α Binding of Anti-Cancer Drug Tamoxifen and Its Derivatives.
J. Chem. Inf. Model.
Li Gao, Yaoquan Tu, Pia Wegman, Sten Wingren, Leif A. Eriksson
2006 — conf
A Highly Efficient
PARA
Yaoquan Tu, Lennart Nilsson, Aatto Laaksonen