Yaoquan Tu

Orcid: 0000-0001-8198-9284

According to our database1, Yaoquan Tu authored at least 11 papers between 2006 and 2024.

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Bibliography

2024
Dynamics Playing a Key Role in the Covalent Binding of Inhibitors to Focal Adhesion Kinase.
J. Chem. Inf. Model., 2024

2023
Correction to "Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4".
J. Chem. Inf. Model., April, 2023

2022
Unraveling the Abnormal Molecular Mechanism of Suicide Inhibition of Cytochrome P450 3A4.
J. Chem. Inf. Model., 2022

Mechanistic Studies on the Stereoselectivity of FFAR1 Modulators.
J. Chem. Inf. Model., 2022

2021
Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies.
J. Chem. Inf. Model., 2021

2020
Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2.
J. Chem. Inf. Model., 2020

Dissecting the Structural Plasticity and Dynamics of Cytochrome P450 2B4 by Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2020

2019
Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational Changes.
J. Chem. Inf. Model., 2019

2011
A Mechanistic Hypothesis for the Cytochrome P450-Catalyzed Cis-Trans Isomerization of 4-Hydroxytamoxifen: An Unusual Redox Reaction.
J. Chem. Inf. Model., 2011

Conformational Enantiomerization and Estrogen Receptor α Binding of Anti-Cancer Drug Tamoxifen and Its Derivatives.
J. Chem. Inf. Model., 2011

2006
A Highly Efficient <i>Ab Initio</i> Tight-Binding-Like Approximate Density-Functional Quantum Mechanical Method.
Proceedings of the Applied Parallel Computing. State of the Art in Scientific Computing, 2006


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