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Yaoquan Tu
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2020 – today
- 2024
- [j10]Yiling Liu, Jundong Tan, Shiliang Hu, Muzammal Hussain, Chang Qiao, Yaoquan Tu, Xiaoyun Lu, Yang Zhou:
Dynamics Playing a Key Role in the Covalent Binding of Inhibitors to Focal Adhesion Kinase. J. Chem. Inf. Model. 64(15): 6053-6061 (2024) - 2023
- [j9]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): 2263-2264 (2023) - 2022
- [j8]Dan Teng, Yang Zhou, Yun Tang, Guixia Liu, Yaoquan Tu:
Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators. J. Chem. Inf. Model. 62(15): 3664-3675 (2022) - [j7]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): 6172-6181 (2022) - 2021
- [j6]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): 2418-2426 (2021) - 2020
- [j5]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): 1551-1558 (2020) - [j4]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): 5026-5035 (2020)
2010 – 2019
- 2019
- [j3]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): 3910-3918 (2019) - 2011
- [j2]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): 306-314 (2011) - [j1]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): 2293-2301 (2011)
2000 – 2009
- 2006
- [c1]Yaoquan Tu, Lennart Nilsson, Aatto Laaksonen:
A Highly Efficient Ab Initio Tight-Binding-Like Approximate Density-Functional Quantum Mechanical Method. PARA 2006: 100-108
Coauthor Index
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