Yaoquan Tu

Publication Activity (10 Years)

Years Active: 2006-2023
Publications (10 Years): 7

Top Topics

Intrinsically Disordered

Protein Folding

Top Venues

J. Chem. Inf. Model.

Publications

Yang Zhou, Junhao Li, Glib Baryshnikov, Yaoquan Tu
Correction to "Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4". J. Chem. Inf. Model. 63 (7) (2023)
Dan Teng, Yang Zhou, Yun Tang, Guixia Liu, Yaoquan Tu
Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators. J. Chem. Inf. Model. 62 (15) (2022)
Yang Zhou, Junhao Li, Glib Baryshnikov, Yaoquan Tu
Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4. J. Chem. Inf. Model. 62 (23) (2022)
Junhao Li, Yue Chen, Yun Tang, Weihua Li, Yaoquan Tu
Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies. J. Chem. Inf. Model. 61 (5) (2021)
Junhao Li, Yang Zhou, Yun Tang, Weihua Li, Yaoquan Tu
Dissecting the Structural Plasticity and Dynamics of Cytochrome P450 2B4 by Molecular Dynamics Simulations. J. Chem. Inf. Model. 60 (10) (2020)
Rongfeng Zou, Yang Zhou, Yong Wang, Guanglin Kuang, Hans Ågren, Junchen Wu, Yaoquan Tu
Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2. J. Chem. Inf. Model. 60 (3) (2020)
Yang Zhou, Rongfeng Zou, Guanglin Kuang, Bengt Långström, Christer Halldin, Hans Ågren, Yaoquan Tu
Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes. J. Chem. Inf. Model. 59 (9) (2019)
Li Gao, Yaoquan Tu, Pia Wegman, Sten Wingren, Leif A. Eriksson
Conformational Enantiomerization and Estrogen Receptor α Binding of Anti-Cancer Drug Tamoxifen and Its Derivatives. J. Chem. Inf. Model. 51 (2) (2011)
Li Gao, Yaoquan Tu, Pia Wegman, Sten Wingren, Leif A. Eriksson
A Mechanistic Hypothesis for the Cytochrome P450-Catalyzed Cis-Trans Isomerization of 4-Hydroxytamoxifen: An Unusual Redox Reaction. J. Chem. Inf. Model. 51 (9) (2011)
Yaoquan Tu, Lennart Nilsson, Aatto Laaksonen
Tight-Binding-Like Approximate Density-Functional Quantum Mechanical Method. PARA (2006)