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Research article

First published 2022-8

Network Pharmacology,Molecular Docking and Molecular Dynamics Simulation Studies of the Molecular Targets and Mechanisms of ChuanKeZhi in the Treatment of COVID-19

Jiaying Yuan, Yiqing Zhu, Jiayi Zhao [...]

Natural Product Communications

Free access

Research article

First published 2017-2

Ablation study of laser micromachining process with molecular dynamics simulation

Angelos P Markopoulos, Dimitrios E Manolakos

Proceedings of the Institution of Mechanical Engineers,Part B: Journal of Engineering Manufacture

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Research article

First published 2017-12

Molecular dynamics simulation study on ablation of silicon by water-jet-guided laser

Weiguo Zhou, Keyu Gong, Jie Wan [...]

Proceedings of the Institution of Mechanical Engineers,Part E: Journal of Process Mechanical Engineering

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Research article

First published 2012

Homology Modeling and Molecular Dynamics Simulation Studies of a Marine Alkaline Protease

Xiaofeng Ji, Wei Wang, Yuan Zheng [...]

Bioinformatics and Biology Insights

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Research article

First published 2009-8

Conformational Dynamics and Thermal Stabilities of the αβ-Tubulin Dimer: A Molecular Dynamics Simulation Study

Xiaomin Wu, Gang Yang, Yuangang Zu [...]

In Silico Biology

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Research article

First published 2022-8

Study Mullins effect of polyurethane reinforcement with halloysite nanotube by molecular dynamics simulation

Mohammadreza Heidari Pebdani

Journal of Elastomers & Plastics

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Research article

First published 2020-12

Molecular dynamics simulation and experimental study on the lubrication of graphene additive films

Lixiu Zhang, Bing Lu, Yuhou Wu [...]

Proceedings of the Institution of Mechanical Engineers,Part J: Journal of Engineering Tribology

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Research article

First published 2025-7

Study on the Mechanism of Acacetin in Treating Hepatocellular Carcinoma Based on Network Pharmacology,Molecular Docking,Molecular Dynamics Simulation,and in Vitro Experiments

Hong Liu, Jing Bai, Ziyue Wang [...]

Natural Product Communications

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Research article

First published 2026-2

Study on the Effect of Lanthanum Stearate on the Compatibility of Desulfurized Rubber with Bitumen Based on Molecular Dynamics Simulation

Junwei Li, Yidi Liu, Ya Su [...]

Transportation Research Record: Journal of the Transportation Research Board

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Research article

First published 2021-1

Ligand-induced structural changes analysis of ribose-binding protein as studied by molecular dynamics simulations

Haiyan Li, Zanxia Cao, Guodong Hu [...]

Technology and Health Care

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