Matyas Parrag

Introduction Click to copy section linkSection link copied! The cell envelope is a fundamental component of cellular life, comprising a diverse array of proteins essential for survival and function. (1) These proteins perform critical tasks such as defending against external threats, maintaining structural integrity, and mediating processes such as cell division and nutrient transport.

Journal of Chemical Information and Modeling Cite this: J. Chem. Inf. Model. 2025, XXXX, XXX Click to copy citationCitation copied! . This publication is licensed under CC-BY 4.0 . You are free to share (copy and redistribute) this article in any medium or format and to adapt (remix, transform, and build upon) the material for any purpose, even commercially within the parameters below: Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator.

Abstract The formation of specialised membrane architectures is fundamental to biological processes. Computational modelling of membrane structures offers a means to unravel complex molecular mechanisms that remain inaccessible through in vitro or in vivo approaches.