Mojie Duan

发表

Geometric Issues in Dimensionality Reduction and Protein Conformation Space

S. Huo, Mojie Duan, Li Han, 2014 .

All‐atom structure ensembles of islet amyloid polypeptides determined by enhanced sampling and experiment data restraints

Mojie Duan, Xinyue Su, Ke Wang, 2019, Proteins.

Structural Properties of Human IAPP Dimer in Membrane Environment Studied by All-Atom Molecular Dynamics Simulations

Minghui Yang, Mojie Duan, Na Liu, 2017, Scientific Reports.

C1188D mutation abolishes specific recognition between MLL1‐CXXC domain and CpG site by inducing conformational switch of flexible N‐terminal

Y. Duan, Minghui Yang, Mojie Duan, 2020, Proteins.

Design of Peptide Inhibitors of Human Papillomavirus 16 (HPV16) Transcriptional Regulator E1-E2 Formation

Na Liu, Mojie Duan, J. Zeng, 2017 .

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.

Dan Li, Tingjun Hou, Mojie Duan, 2021, Journal of medicinal chemistry.

Advances in the computational development of androgen receptor antagonists.

Dan Li, Tingjun Hou, Mojie Duan, 2020, Drug discovery today.

Approximating dynamic proximity with a hybrid geometry energy-based kernel for diffusion maps.

S. Huo, Mojie Duan, Li Han, 2019, The Journal of chemical physics.

Using amino acid factor scores to predict avian-to-human transmission of avian influenza viruses: a machine learning study.

Zheng Kou, Mojie Duan, Mojie Duan, 2013, Protein and peptide letters.

Euclidean sections of protein conformation space and their implications in dimensionality reduction

S. Huo, Mojie Duan, Li Han, 2014, Proteins.

Enhancement of hydrogen peroxide tolerance of lipase LipA from Bacillus subtilis using semi-rational design

Mojie Duan, Zhengyu Shu, Jianzhong Huang, 2020 .

A Virulence-associated glycolipid with distinct conformational attributes: Impact on lateral organization of host plasma membrane, autophagy and signaling.

Mojie Duan, Jaladhar Mahato, Suvarn S. Kulkarni, 2020, ACS chemical biology.

The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations

Mojie Duan, Zheng Zheng, Jiawen Chen, 2022, J. Chem. Inf. Model..

Mutually Exclusive Interactions of Rifabutin with Spatially Distinct Mycobacterial Cell Envelope Membrane Layers Offer Insights into Membrane-Centric Therapy of Infectious Diseases

M. Aguilar, Mojie Duan, A. Menon, 2022, ACS bio & med chem Au.

Self-Assembled Oligopeptide (FK)4 as a Chiral Alignment Medium for the Anisotropic NMR Analysis of Organic Compounds.

Xu Zhang, Maili Liu, Mojie Duan, 2022, ACS applied materials & interfaces.

Molecular View on the Dissociation Pathways and Transactivation Regulation Mechanism of Nonsteroidal GR Ligands

Tingjun Hou, Mojie Duan, Jiawen Chen, 2021, J. Chem. Inf. Model..

Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis

Dan Li, Tingjun Hou, Mojie Duan, 2021, Advanced science.

A Protein Secondary Structure Prediction Tool Using Two-Level Strategy to Improve the Prediction Accuracy of Secondary Structures and Structure Boundaries

Yanhong Zhou, Mojie Duan, Huiyan Huang, 2009, 2009 International Conference on Information Engineering and Computer Science.

Identification of true EST alignments for recognising transcribed regions

Jia Wang, Lun Li, Yanhong Zhou, 2011, Int. J. Data Min. Bioinform..

Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator

Tingjun Hou, Huiyong Sun, Junmei Wang, 2018, J. Chem. Inf. Model..

Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays

Shan Chang, Qin Tang, Lei Xu, 2018, Genom. Proteom. Bioinform..

The Pathogenesis Mechanism, Structure Properties, Potential Drugs and Therapeutic Nano-particles Against the Small Oligomers of Amyloid-β.

Mojie Duan, Ke Wang, Liu Na, 2020, Current topics in medicinal chemistry.

The auto-inhibition mechanism of transcription factor Ets-1 induced by phosphorylation on the intrinsically disordered region

Mojie Duan, Dazhong Yan, Hong-Jun Chao, 2022, Computational and structural biotechnology journal.

Cellular stress promotes NOD1/2‐dependent inflammation via the endogenous metabolite sphingosine‐1‐phosphate

H. Mollenkopf, S. Kaufmann, Mojie Duan, 2021, The EMBO journal.

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

Li Xu, Yunjun Yan, Mojie Duan, 2009, Biotechnology progress.

Regulation Mechanism for the Binding between the SARS-CoV-2 Spike Protein and Host Angiotensin-Converting Enzyme II

Y. Kang, Tingjun Hou, Mojie Duan, 2021, The journal of physical chemistry letters.

Position‐specific residue preference features around the ends of helices and strands and a novel strategy for the prediction of secondary structures

Min Huang, Mojie Duan, Chuang Ma, 2008, Protein science : a publication of the Protein Society.

Structural Diversity of Ligand-Binding Androgen Receptors Revealed by Microsecond Long Molecular Dynamics Simulations and Enhanced Sampling.

Dan Li, Tingjun Hou, Minghui Yang, 2016, Journal of chemical theory and computation.

Evaluation of Dimensionality-reduction Methods from Peptide Folding-unfolding Simulations.

Li Han, Shuanghong Huo, Jue Fan, 2013, Journal of chemical theory and computation.

Phosphorylation regulates the binding of intrinsically disordered proteins via a flexible conformation selection mechanism

Mojie Duan, Na Liu, Yuee Guo, 2020, Communications Chemistry.

Phosphorylation Regulation on the Homo-Dimeric Binding of Transactive Response DNA-Binding Protein

Mojie Duan, Zhengyu Shu, Jiawen Chen, 2022, J. Chem. Inf. Model..

Network representation of conformational transitions between hidden intermediates of Rd-apocytochrome b562.

Shuanghong Huo, Mojie Duan, Minghai Li, 2015, The Journal of chemical physics.

Lipid Clustering within Mycobacterial Cell Envelope Layers Governs Spatially Resolved Solvation Dynamics

Anindya Dutta, Mojie Duan, S. Kapoor, 2021 .

Spatial Order of Functional Modules Enabling Diverse Intracellular Performance of Fluorescent Probes

R. Liu, Jun Dai, Mojie Duan, 2021, Angewandte Chemie.

Spatial order of functional modules enabling diverse intracellular performance of fluorescent probes.

R. Liu, Mojie Duan, Jun Dai, 2021, Angewandte Chemie.

A Contact Energy Function Considering Residue Hydrophobic Environment and Its Application in Protein Fold Recognition

Yan-Hong Zhou, Mojie Duan, Yan-Hong Zhou, 2016, Genomics, proteomics & bioinformatics.

Graph representation of protein free energy landscape.

Shuanghong Huo, Mojie Duan, Li Han, 2013, The Journal of chemical physics.

Conformations of Islet Amyloid Polypeptide Monomers in a Membrane Environment: Implications for Fibril Formation

Shuanghong Huo, Mojie Duan, Jue Fan, 2012, PloS one.

Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations

Tingjun Hou, Huiyong Sun, Youyong Li, 2019, J. Chem. Inf. Model..

Interplay between human islet amyloid polypeptide aggregates and micro-heterogeneous membranes.

Mojie Duan, Hanzhong Liu, Qingzhe Tan, 2021, Biochimica et Biophysica Acta - Biomembranes.

Lipid Clustering in Mycobacterial Cell Envelope Layers Governs Spatially Resolved Solvation Dynamics.

A. Dutta, Mojie Duan, S. Kapoor, 2022, Chemistry, an Asian journal.

The regulation mechanism of phosphorylation and mutations in intrinsically disordered protein 4E-BP2.

Minghui Yang, Mojie Duan, Ke Wang, 2020, Physical chemistry chemical physics : PCCP.

The Conformational Transitions and Dynamics of Burkholderia cepacia Lipase Regulated by Water-Oil Interfaces.

Mojie Duan, Zhengyu Shu, Wanqian Dong, 2023, Journal of chemical information and modeling.

Molecular Insights on the Conformational Transitions and Activity Regulation of the c-Met Kinase Induced by Ligand Binding

Tao Jiang, Mojie Duan, Wenlang Liu, 2023, Journal of Chemical Information and Modeling.

The Observation of Ligand-Binding-Relevant Open States of Fatty Acid Binding Protein by Molecular Dynamics Simulations and a Markov State Model

Minghui Yang, Mojie Duan, Yuee Guo, 2019, International journal of molecular sciences.

Observation of two families of folding pathways of BBL.

Da-Wei Li, Jue Fan, Mojie Duan, 2011, Biophysical journal.

On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate

Tingjun Hou, Mojie Duan, Na Liu, 2023, J. Chem. Inf. Model..

Discovery of Novel Anti‐Resistance AR Antagonists Guided by Funnel Metadynamics Simulation

Dan Li, Mojie Duan, Zhe Wang, 2024, Advanced science.