MemPrO: A Predictive Tool for Membrane Protein Orientation
Matyas Parrag, Phillip J. Stansfeld
TL;DR
MemPrO is a new tool that accurately orients membrane proteins in simulations, improving understanding of their role in cellular processes.
Contribution
MemPrO introduces precise orientation prediction for complex membrane systems, including multibilayer and peripheral proteins.
Findings
MemPrO successfully orients proteins in both single and double membrane environments.
The tool includes advanced features like membrane curvature analysis and bacterial cell wall prediction.
MemPrO improves modeling of cellular envelopes and supports therapeutic strategy development.
Abstract
Membrane proteins play a vital role in numerous cellular processes, including ion transport, intercellular communication, and antibiotic resistance. Ensuring their accurate orientation within lipid bilayers is essential for reliable molecular simulations and structural analyses. We introduce MemPrO, a robust tool designed to orient a wide range of membrane-associated proteins with precision. While existing tools perform well in standard scenarios, they often struggle with complex configurations such as multibilayer systems or peripheral membrane proteins. MemPrO addresses these limitations by delivering detailed orientation data for proteins in both single and double membrane environments. In addition to mapping spatial arrangements relative to lipid bilayers, MemPrO incorporates advanced analytical features, including membrane curvature analysis. It also extends its capability to…
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Taxonomy
TopicsBacterial Genetics and Biotechnology · Machine Learning in Bioinformatics · Lipid Membrane Structure and Behavior