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Phys. Chem. Chem. Phys., 2023, 25, 12426
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Exploring the effects of macromolecular crowding on the conformation and NuMA binding of 4.1G-CTD

Shi Yu, Ming Yang, Sarah Perrett, Si Wu, Zhijun Liu and Wenning Wang

Phys. Chem. Chem. Phys., 2025, 27, 16935
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Conformational plasticity of disordered regions enables sequence-diverse DNA recognition by transcription factor AflR

Shaowen Wu, Fenghua Wang, Weijie Zhou, Xinze Zhang, Lingpeng Zhan, Wenyang Zhang, Wenning Wang, Wolun Zhang, Shaohui Huang, Alisdair R. Fernie, Zhijun Liu and Shijuan Yan

Nat Commun, 2025, 16
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Molecular simulations integrated with experiments for probing the interaction dynamics and binding mechanisms of intrinsically disordered proteins

Catherine Ghosh, Suhani Nagpal and Victor Muñoz

Current Opinion in Structural Biology, 2024, 84, 102756
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Phosphorylation-Regulated Conformational Diversity and Topological Dynamics of an Intrinsically Disordered Nuclear Receptor

Vasily Akulov, Alba Jiménez Panizo, Eva Estébanez-Perpiñá, John van Noort and Alireza Mashaghi

J. Phys. Chem. B, 2025, 129, 7719
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Sodium Oligomannate Electrostatically Binds to Aβ and Blocks Its Aggregation

Chen Zhou, Jingjing Zhang, Xinwen Luo, Fulin Lian, Yangyang Zeng, Zhenqing Zhang, Haiyan Zhang and Naixia Zhang

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Two decades of advances in sequence-based prediction of MoRFs, disorder-to-order transitioning binding regions

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Disorder in CENP-ACse4 tail-chaperone interaction facilitates binding with Ame1/Okp1 at the kinetochore

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Structure, 2024, 32, 690
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Structural dynamics of plant transcription factors and their functional implications

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The Plant Journal, 2026, 125
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Impact of pH on fuzzy interactions between two intrinsically disordered proteins

Yiping Yu, Dan Wang and Wenning Wang

Chinese Journal of Chemical Physics, 2025, 38, 503
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Elucidating the suppressive mechanism of four inhibitors on VP39 and unique conformational changes with protein in mode 2

Pengfei Gao, Song Luo, Jinxin Liu, Enhao Zhang and Lili Duan

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2025, 334, 125917
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Evaluation of predictions of disordered binding regions in the CAID2 experiment

Fuhao Zhang and Lukasz Kurgan

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Impact of Nonnative Interactions on the Binding Kinetics of Intrinsically Disordered p53 with MDM2: Insights from All-Atom Simulation and Markov State Model Analysis

Qianjun Xu, Maohua Yang, Jie Ji, Jingwei Weng, Wenning Wang and Xin Xu

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Combined prediction and design reveals the target recognition mechanism of an intrinsically disordered protein interaction domain

Xiuhong Hu, Yang Xu, Chenchen Wang, Yufeng Liu, Lu Zhang, Jiahai Zhang, Wenning Wang, Quan Chen and Haiyan Liu

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Proline variants in the BRCA1 coiled‐coil domain disrupt folding and binding to PALB2

Chrissy N. S. Baker, Precious Grace C. Pajela, Davis E. Martin, Sergei V. Dzyuba and Mikaela D. Stewart

Protein Science, 2025, 34
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Challenges and opportunities of theoretical and computational chemistry in the new era

Wei Li, Shuhua Li and Xiangjian Shen

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Phosphorylation Regulation Mechanism of β2 Integrin for the Binding of Filamin Revealed by Markov State Model

Xiaokun Hong, Kaiyuan Song, Mueed Ur Rahman, Ting Wei, Yan Zhang, Lin-Tai Da and Hai-Feng Chen

J. Chem. Inf. Model., 2023, 63, 605
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Digging into the 3D Structure Predictions of AlphaFold2 with Low Confidence: Disorder and Beyond

Apolline Bruley, Jean-Paul Mornon, Elodie Duprat and Isabelle Callebaut

Biomolecules, 2022, 12, 1467
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Computational Prediction of Protein Intrinsically Disordered Region Related Interactions and Functions

Bingqing Han, Chongjiao Ren, Wenda Wang, Jiashan Li and Xinqi Gong

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Structural Heterogeneity of Intermediate States Facilitates CRIPT Peptide Binding to the PDZ3 Domain: Insights from Molecular Dynamics and Markov State Model Analysis

Xingyu Song, Dongdong Wang, Jie Ji, Jingwei Weng and Wenning Wang

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Recent Advances in Mass Spectrometry-Based Protein Interactome Studies

Shaowen Wu, Sheng Zhang, Chun-Ming Liu, Alisdair R. Fernie and Shijuan Yan

Molecular & Cellular Proteomics, 2025, 24, 100887
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Mutual Enhanced Dynamic Interactions among Three Intrinsically Disordered Proteins

Shi Yu, Tingting Li, Zhijun Liu and Wenning Wang

JACS Au, 2025, 5, 5121
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Context-dependent, fuzzy protein interactions: Towards sequence-based insights

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Current Opinion in Structural Biology, 2024, 87, 102834
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Studying the Signaling Mechanism of Neuropilin-1’s Intracellular Disorder Region via Conformational Mining and Dynamic Interaction Characterization

Congran Yue, Sai Shi, Zhenlu Li and Sheng Ye

J. Phys. Chem. B, 2025, 129, 2392
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