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Molecular Modeling Connect

Vannajan Sanghiran Lee
Editor-in-Chief

Vannajan Sanghiran Lee
Editor-in-Chief

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Molecular Modeling Connect is a dynamic, peer-reviewed, open-access journal dedicated to advancing the frontiers of molecular modeling and simulation. Published biannually in both print and online formats, the journal provides a platform for cutting-edge research in a wide range of topics related to molecular modeling and simulation.

Volumes 1
Articles 7
Volume: 1, 2025

Insights

35 Days

Time to First Peer Review Decision

112 Days

Time to Final Acceptance

1 Day

Acceptance to First Online


Recent Articles

Research Article

Available Online: 24 Apr 2025

Effect of Acyl Chain Variation and Cholesterol on Structural and Dynamic Properties of Lipid Bilayer Probed by Simulation

Volume 1

Research Article

Available Online: 22 Apr 2025

Exploring Artesunate and Dihydroartemisinin for Mechanism on MMP-3 and MMP-13 via Molecular Docking and Molecular Dynamics

Volume 1

The application of natural products has drawn increasing attention in recent times. Artesunate (ART) and Dihydroartemisinin (DHA), being natural products with anti-inflammatory and cartilage protective capabilities, have shown potential in osteoarthritis (OA) treatment. OA is a highly prevalent degenerative joint disease globally, leading to a diminished quality of life and being a cause of disability. Matrix metalloproteinase 3 (MMP-3) and..

Research Article

Available Online: 14 Mar 2025

Smart Gas Sensing by (Al/C/Si)-doped Boron Nitride Nanomaterial towards Grabbing Nitric Oxide: A Novel Applied Technique for Air Pollution Reduction by DFT Analysis

Volume 1

The electronic, magnetic, and thermodynamic properties of adsorption of toxic gases, including Nitric oxide (NO) by using Y (Y = Al, C, Si)-doped boron nitride nanocage (BN) have been investigated using density functional theory (DFT). The results denote that NO→Y–BN are stable compounds, with the most stable adsorption site being the center of the cage ring. Furthermore, the reported results..

Research Article

Published: 20 Mar 2025

Food and Medicine Homology Substance in Cancer Treatment: Mechanism of Astragalus against Pancreatic Cancer

Volume 1

This work explores the mechanism of food and medicine homology substance—astragalus—against pancreatic cancer (PC). PC is a notably lethal solid tumor, often presenting with a poor clinical prognosis and typically diagnosed at an advanced stage. Food and medicine homology herbs possess dual attributes as both functional foods and therapeutic agents, which showed promise as a treatment strategy demonstrating substantial inhibitory..