Yaoquan Tu
Orcid: 0000-0001-8198-9284
According to our database1,
Yaoquan Tu authored at least 12 papers
between 2006 and 2026.
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Bibliography
2026
Generative Replica-Exchange: A Flow-based Framework for Accelerating Replica Exchange Simulations.
CoRR, March, 2026
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
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