Sage Journals: Discover world-class research

Free access

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 2017

Modification of S -Adenosyl- l -Homocysteine as Inhibitor of Nonstructural Protein 5 Methyltransferase Dengue Virus Through Molecular Docking and Molecular Dynamics Simulation

Usman Sumo Friend Tambunan, Mochammad Arfin Fardiansyah Nasution, Fauziah Azhima [...]

Drug Target 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

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 2024-11

In silico molecular docking and molecular dynamics of Prinsepia utilis phytochemicals as potential inhibitors of phosphodiesterase 4B

Cao Hoang Minh Chau, Ngu Thi Tra Giang, Nguyen Thi Thuy Tram [...]

Journal of Chemical Research

Open access

Research article

First published 2026-3

In silico molecular docking and molecular dynamics simulation of Baeckea frutescens phytochemicals as mitogen-activated protein kinase 3 (MAPK3) potential inhibitors

Hoang Thi Tue Trang, Ngu Thi Tra Giang, Nguyen Thi Thuy Tram [...]

Journal of Chemical Research

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

Open access

Research article

First published 2025

Exploration of Natural Products for Targeting IDH1/2 Mutations in Acute Myeloid Leukemia Through Ligand-Based Pharmacophore Screening,Docking,ADME-T,and Molecular Dynamic Simulation Approaches

Uddalak Das, Dheemanth Reddy Regati, Jitendra Kumar [...]

Bioinformatics and Biology Insights

Retricted access

Research article

First published 2023-3

Investigation on a new type of latching mechanism on the satellite-rocket docking system and locking dynamic analysis

Qing Lin, Ming Zhang, Jie Ren [...]

Proceedings of the Institution of Mechanical Engineers,Part G: Journal of Aerospace Engineering

Search results