Predicting protein-membrane interfaces of peripheral membrane proteins using ensemble machine learning.

ABSTRACT: Abnormal protein-membrane attachment is involved in deregulated cellular pathways and in disease. Therefore, the possibility to modulate protein-membrane interactions represents a new promising therapeutic strategy for peripheral membrane proteins that have been considered so far undruggable. A major obstacle in this drug design strategy is that the membrane-binding domains of peripheral membrane proteins are usually unknown. The development of fast and efficient algorithms predicting the protein-membrane interface would shed light into the accessibility of membrane-protein interfaces by drug-like molecules. Herein, we describe an ensemble machine learning methodology and algorithm for predicting membrane-penetrating amino acids. We utilize available experimental data from the literature f

SUBMITTER: Chatzigoulas A 

PROVIDER: S-EPMC8921665 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature