# Emerging Patterns in the Continuum Representation of Protein-Lipid Fingerprints

arXiv: https://arxiv.org/abs/2207.04333 · HTML: https://mlsanity.com/paper/2207.04333/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 2 of its 12 references that are in the map.
- First posted on arXiv 9 Jul 2022.

## Builds on (most cited first, 2 of 2)

- [Adam: A Method for Stochastic Optimization](https://mlsanity.com/paper/1412.6980/) (2014)
- [Horovod: fast and easy distributed deep learning in TensorFlow](https://mlsanity.com/paper/1802.05799/) (2018)

## Abstract (arXiv)

Capturing intricate biological phenomena often requires multiscale modeling where coarse and inexpensive models are developed using limited components of expensive and high-fidelity models. Here, we consider such a multiscale framework in the context of cancer biology and address the challenge of evaluating the descriptive capabilities of a continuum model developed using 1-dimensional statistics from a molecular dynamics model. Using deep learning, we develop a highly predictive classification model that identifies complex and emergent behavior from the continuum model. With over 99.9% accuracy demonstrated for two simulations, our approach confirms the existence of protein-specific "lipid fingerprints", i.e. spatial rearrangements of lipids in response to proteins of interest. Through this demonstration, our model also provides external validation of the continuum model, affirms the value of such multiscale modeling, and can foster new insights through further analysis of these fingerprints.