IDP-Bert: Predicting Properties of Intrinsically Disordered Proteins Using Large Language Models

P Mollaei and D Sadasivam and C Guntuboina and AB Farimani, JOURNAL OF PHYSICAL CHEMISTRY B, 128, 12030-12037 (2024).

DOI: 10.1021/acs.jpcb.4c02507

Intrinsically disordered Proteins (IDPs) constitute a large and structureless class of proteins with significant functions. The existence of IDPs challenges the conventional notion that the biological functions of proteins rely on their three-dimensional structures. Despite lacking well-defined spatial arrangements, they exhibit diverse biological functions, influencing cellular processes and shedding light on disease mechanisms. However, it is expensive to run experiments or simulations to characterize this class of proteins. Consequently, we designed an ML model that relies solely on amino acid sequences. In this study, we introduce the IDP-Bert model, a deep-learning architecture leveraging Transformers and Protein Language Models to map sequences directly to IDP properties. Our experiments demonstrate accurate predictions of IDP properties, including Radius of Gyration, end-to-end Decorrelation Time, and Heat Capacity.

Return to Publications page