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Author

Mojie Duan

Institutions: Wuhan Institute of Physics and Mathematics, Wuhan National Laboratory for Optoelectronics, University of Chinese Academy of Sciences, Wuhan University of Science and Technology, Innovation Academy for Precision Measurement Science and Technology, CAS, State Key Laboratory of Refractories and Metallurgy, Huazhong University of Science and Technology
Observed institutions: Clark University, Chinese Academy of Sciences, Wuhan Institute of Physics and Mathematics, Wuhan National Laboratory for Optoelectronics, University of Chinese Academy of Sciences, Wuhan University of Science and Technology, Innovation Academy for Precision Measurement Science and Technology, CAS, State Key Laboratory of Refractories and Metallurgy, Huazhong University of Science and Technology
ORCID: 0000-0002-5496-832X
Observed ORCID: 0000-0002-5496-832X
OpenAlex ID: A5043239673
Cellular stress promotes NOD1/2‐dependent inflammation via the endogenous metabolite sphingosine‐1‐phosphate
2021 · Gang Pei, Joanna Zyla, et al. · The EMBO Journal · 86
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Discovery of Novel Androgen Receptor Ligands by Structure-Based Virtual Screening and Bioassays
2018 · Wenfang Zhou, Mojie Duan, et al. · Genomics Proteomics & Bioinformatics · 58
Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling
2016 · Mojie Duan, Na Liu, et al. · Journal of Chemical Theory and Computation · 57
Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis
2021 · Xueping Hu, Jinping Pang, et al. · Advanced Science · 48
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Phosphorylation regulates the binding of intrinsically disordered proteins via a flexible conformation selection mechanism
2020 · Na Liu, Yue Guo, et al. · Communications Chemistry · 47
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Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator
2018 · Na Liu, Wenfang Zhou, et al. · Journal of Chemical Information and Modeling · 45
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations
2019 · Ye Jin, Mojie Duan, et al. · Journal of Chemical Information and Modeling · 42
Spatial Order of Functional Modules Enabling Diverse Intracellular Performance of Fluorescent Probes
2021 · Chong Duan, Jing‐Jing Hu, et al. · Angewandte Chemie International Edition · 41
Aspergillus niger lipase: Heterologous expression in Pichia pastoris, molecular modeling prediction and the importance of the hinge domains at both sides of the lid domain to interfacial activation
2009 · Zhengyu Shu, Mojie Duan, et al. · Biotechnology Progress · 33
Conformations of Islet Amyloid Polypeptide Monomers in a Membrane Environment: Implications for Fibril Formation
2012 · Mojie Duan, Jue Fan, et al. · PLoS ONE · 32
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Evaluation of Dimensionality-Reduction Methods from Peptide Folding–Unfolding Simulations
2013 · Mojie Duan, Jue Fan, et al. · Journal of Chemical Theory and Computation · 31
Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations
2017 · Na Liu, Mojie Duan, et al. · Scientific Reports · 26
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Advances in the computational development of androgen receptor antagonists
2020 · Xueping Hu, Xin Chai, et al. · Drug Discovery Today · 25
Position‐specific residue preference features around the ends of helices and strands and a novel strategy for the prediction of secondary structures
2008 · Mojie Duan, Min Huang, et al. · Protein Science · 25
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Discovery of a Novel Androgen Receptor Antagonist Manifesting Evidence to Disrupt the Dimerization of the Ligand-Binding Domain via Attenuating the Hydrogen-Bonding Network Between the Two Monomers
2021 · Weitao Fu, Minkui Zhang, et al. · Journal of Medicinal Chemistry · 22
The Conformational Transitions and Dynamics of Burkholderia cepacia Lipase Regulated by Water–Oil Interfaces
2023 · Kuan Liang, Wanqian Dong, et al. · Journal of Chemical Information and Modeling · 20
The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations
2022 · Tao Jiang, Zhenhao Liu, et al. · Journal of Chemical Information and Modeling · 19
The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model
2019 · Yue Guo, Mojie Duan, et al. · International Journal of Molecular Sciences · 19
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A Virulence-Associated Glycolipid with Distinct Conformational Attributes: Impact on Lateral Organization of Host Plasma Membrane, Autophagy, and Signaling
2020 · Ruchika Dadhich, Manjari Mishra, et al. · ACS Chemical Biology · 18
Fast collective motions of backbone in transmembrane α helices are critical to water transfer of aquaporin
2024 · Huan Tan, Mojie Duan, et al. · Science Advances · 16
The auto-inhibition mechanism of transcription factor Ets-1 induced by phosphorylation on the intrinsically disordered region
2022 · Shangbo Ning, Hong-Jun Chao, et al. · Computational and Structural Biotechnology Journal · 14
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Regulation Mechanism for the Binding between the SARS-CoV-2 Spike Protein and Host Angiotensin-Converting Enzyme II
2021 · Haiyi Chen, Yu Kang, et al. · The Journal of Physical Chemistry Letters · 14
Discovery of Novel Anti‐Resistance AR Antagonists Guided by Funnel Metadynamics Simulation
2024 · Haiyi Chen, Yuxin Zhou, et al. · Advanced Science · 13
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Fluorination of Aza-BODIPY for Cancer Cell Plasma Membrane-Targeted Imaging and Therapy
2025 · Anfeng Li, Fang Wang, et al. · ACS Applied Materials & Interfaces · 12
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Molecular View on the Dissociation Pathways and Transactivation Regulation Mechanism of Nonsteroidal GR Ligands
2021 · Haiyi Chen, Rui Zhou, et al. · Journal of Chemical Information and Modeling · 12
Works count: 68
Citation count: 986
H-index: 18
I10-index: 32
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