# MemPrO: A Predictive Tool for Membrane Protein Orientation

## 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.

## Key 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 predict the
position and orientation of the bacterial cell wall. By integrating
these features, MemPrO significantly enhances our ability to model
and interpret the intricate architecture of cellular envelopes. This
supports both fundamental research and the development of novel therapeutic
strategies through a deeper understanding of membrane–protein
interactions.