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Molecular Modeling Connect

Robert Vianello
Editor-in-Chief

Robert Vianello
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 2
Articles 11
Volume: 2, 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

Published: 25 Jul 2025

Structural and Molecular Changes of Isonicotinylhydrazine Anti-Tubercular Drug in Alcohol Environment: An Intuition from Theory

Volume 2

Research Article

Published: 27 Jun 2025

The Impact of Toxic Effector Molecule TagX on the Amino Acid Conformation of the Hcp1 Monohexameric Ring in Acinetobacter baumannii Type VI Secretion System Utilizing Bioinformatics Tools and an AI System

Volume 2

Limited information is currently available regarding the contraction mechanism of the Hcp-1 hemolysin-coregulated protein within the type VI secretion system (T6SS) of Acinetobacter baumannii, particularly about the secretion of toxic effectors. This research aimed to evaluate the mechanism underlying the contraction of the Hcp1 nanotube in response to the putative toxic effector TagX protein by employing bioinformatics tools and the..

Editorial

Published: 07 Jul 2025

The Predictive Revolution: Rethinking Science Through Molecular Modeling

Volume 2

Research Article

Published: 07 May 2025

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

Volume 2

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 is a major cause of disability. Matrix metalloproteinase 3 (MMP-3)..