Published: 25 Jul 2025
Structural and Molecular Changes of Isonicotinylhydrazine Anti-Tubercular Drug in Alcohol Environment: An Intuition from Theory
Volume 2

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.
Time to First Peer Review Decision
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Acceptance to First Online
Published: 25 Jul 2025
Volume 2
Published: 27 Jun 2025
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..
Published: 07 Jul 2025
Volume 2
Published: 07 May 2025
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)..