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Research article

First published 2025

Assessing the Neurotoxicity of Bisphenol A Using Network Toxicology,Molecular Docking,and Molecular Dynamics Simulation

Wanyu Huang, Xuanyu Lin, Shuang Li [...]

International Journal of Toxicology

Open access

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

Open access

Research article

First published 2024

Identification of Molecular Mechanisms of Ameloblastoma and Drug Repositioning by Integration of Bioinformatics Analysis and Molecular Docking Simulation

Suthipong Chujan, Nutsira Vajeethaveesin, Jutamaad Satayavivad [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2023

In silico Structure Prediction,Molecular Docking,and Dynamic Simulation of Plasmodium falciparum AP2-I Transcription Factor

David O Oladejo, Gbolahan O Oduselu, Titilope M Dokunmu [...]

Bioinformatics and Biology Insights

Retricted access

Research article

First published 2022-7

Antidepressant-like effect of tofisopam in mice: A behavioural,molecular docking and MD simulation study

Nazlı Turan Yücel, Asaf Evrim Evren, Ümmühan Kandemir [...]

Journal of Psychopharmacology

Open access

Research article

First published 2022-12

Exploring the Potential Mechanism of Danshen in the Treatment of Concurrent Ischemic Heart Disease and Depression Using Network Pharmacology,Molecular Docking,and Molecular Dynamics Simulation

Zhiyao Liu, Hailiang Huang, Ying Yu [...]

Natural Product Communications

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Research article

First published 2010-2

Binding Investigation of Integrin α v β 3 With Its Inhibitors by SPR Technology and Molecular Docking Simulation

Yaqin Liu, Yuanjiang Pan, Yuhong Xu

Journal of Biomolecular Screening

Open access

Research article

First published 2023-12

Bioinformatics,Molecular Docking Simulation and in vitro Experiments Reveal the Bioactive Compounds and Mechanism of Coptis chinensis Franch. Against Colorectal Adenocarcinoma

Xin Liu, Xu-ying Huang, Zhong Liu [...]

Pharmacognosy Magazine

Open access

Research article

First published 2022-11

Molecular Docking and Dynamics Simulation Studies of Ginsenosides with SARS-CoV-2 Host and Viral Entry Protein Targets

Pang Shifeng, Vinothini Boopathi, Mohanapriya Murugesan [...]

Natural Product Communications

Open access

Research article

First published 2022-11

Virtual screening of phytochemicals by targeting multiple proteins of severe acute respiratory syndrome coronavirus 2: Molecular docking and molecular dynamics simulation studies

Muhammad Azeem, Ghulam Mustafa, Hafiza S Mahrosh

International Journal of Immunopathology and Pharmacology

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