Publications by authors named "Jingwei Weng"

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Unraveling the Catalytic Mechanism and Substrate Selectivity of HDAC10: A Dual-Filter Approach for Polyamine Deacetylation.
Shengyang Cai, Jingwei Weng, Igor Ying Zhang, Yichun Zhu

JACS Au· September 2025

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Molecular insights into AGS3's role in spindle orientation: a biochemical perspective.
Shi Yu, Jie Ji, Jingwei Weng, Zhijun Liu, Wenning Wang

J Mol Cell Biol· May 2025

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Use of Steered Molecular Dynamics to Explore the Conformational Changes of SNARE Proteins.
Yiping Yu, Jingwei Weng, Wenning Wang

Methods Mol Biol· April 2025

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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, Wenning Wang

J Chem Theory Comput· March 2025

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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

J Chem Inf Model· July 2024

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Calculating C NMR chemical shifts of large molecules using the eXtended ONIOM method at high accuracy with a low cost.
Zhipeng Ke, Jingwei Weng, Xin Xu

J Comput Chem· November 2023

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Different conformational dynamics of SNARE protein Ykt6 among yeast and mammals.
Jie Ji, Yiping Yu, Shaowen Wu, Dongdong Wang, Jingwei Weng

J Biol Chem· August 2023

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The importance of the compact disordered state in the fuzzy interactions between intrinsically disordered proteins.
Dan Wang, Shaowen Wu, Dongdong Wang, Xingyu Song, Maohua Yang, Jingwei Weng

Chem Sci· February 2022

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Conformational Features of Ras: Key Hydrogen-Bonding Interactions of Gln61 in the Intermediate State during GTP Hydrolysis.
Juan Zeng, Jingwei Weng, Yuwei Zhang, Fei Xia, Qiang Cui

J Phys Chem B· August 2021

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The Role of Calcium in Regulating the Conformational Dynamics of d-Galactose/d-Glucose-Binding Protein Revealed by Markov State Model Analysis.
Maohua Yang, Yegen Tang, Jingwei Weng, Zhijun Liu, Wenning Wang

J Chem Inf Model· February 2021

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Revealing Thermodynamics and Kinetics of Lipid Self-Assembly by Markov State Model Analysis.
Jingwei Weng, Maohua Yang, Wenning Wang, Xin Xu, Zhongqun Tian

J Am Chem Soc· December 2020

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The enhanced extended phenomenological kinetics method to deal with timescale disparity problem among different reaction pathways.
Chen Ding, Jingwei Weng, Tonghao Shen, Xin Xu

J Comput Chem· September 2020

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Dynamic multivalent interactions of intrinsically disordered proteins.
Jingwei Weng, Wenning Wang

Curr Opin Struct Biol· June 2020

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Glycerol transport through the aquaglyceroporin GlpF: bridging dynamics and kinetics with atomic simulation.
Dongdong Wang, Jingwei Weng, Wenning Wang

Chem Sci· August 2019

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An unconventional ligand-binding mechanism of substrate-binding proteins: MD simulation and Markov state model analysis of BtuF.
Dongdong Wang, Jingwei Weng, Wenning Wang

J Comput Chem· May 2019

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Structural Features and Energetics of the Periplasmic Entrance Opening of the Outer Membrane Channel TolC Revealed by Molecular Dynamics Simulation and Markov State Model Analysis.
Jingwei Weng, Wenning Wang

J Chem Inf Model· May 2019

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A Residue outside the Binding Site Determines the Gα Binding Specificity of GoLoco Motifs.
Chunhua Liu, Jingwei Weng, Dan Wang, Maohua Yang, Min Jia

Biochemistry· November 2018

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A revisit of the conformational dynamics of SNARE protein rYkt6.
Shaowen Wu, Dongdong Wang, Jingwei Weng, Jianwei Liu, Wenning Wang

Biochem Biophys Res Commun· September 2018

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ATP Hydrolysis Induced Conformational Changes in the Vitamin B12 Transporter BtuCD Revealed by MD Simulations.
Chao Pan, Jingwei Weng, Wenning Wang

PLoS One· June 2017

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The Dynamic Multisite Interactions between Two Intrinsically Disordered Proteins.
Shaowen Wu, Dongdong Wang, Jin Liu, Yitao Feng, Jingwei Weng

Angew Chem Int Ed Engl· June 2017

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Generalized Switch Functions in the Multilevel Many-Body Expansion Method and Its Application to Water Clusters.
Guo Dong Chen, Jingwei Weng, Guoliang Song, Zhen Hua Li

J Chem Theory Comput· May 2017

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Maltose-binding protein effectively stabilizes the partially closed conformation of the ATP-binding cassette transporter MalFGK.
Jingwei Weng, Shuo Gu, Xin Gao, Xuhui Huang, Wenning Wang

Phys Chem Chem Phys· April 2017

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Difference distance map data of alternative crystal forms of UlaA.
Ake Vastermark, Adelle Driker, Jingwei Weng, Xiaochun Li, Jiawei Wang

Data Brief· February 2017

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The V-motifs facilitate the substrate capturing step of the PTS elevator mechanism.
Ake Vastermark, Adelle Driker, Jingwei Weng, Xiaochun Li, Jiawei Wang

J Struct Biol· December 2016

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Conformational Dynamics and Protein-Substrate Interaction of ABC Transporter BtuCD at the Occluded State Revealed by Molecular Dynamics Simulations.
Chao Pan, Jingwei Weng, Wenning Wang

Biochemistry· December 2016

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