Kyra Alyssa Abbu

DeepREAL predicts genome-scale receptor activity of ligand binding for novel chemicals using deep learning, addressing data scarcity and distribution shifts.

This paper introduces DISAE, a deep learning framework that predicts ligands for unannotated proteins and applies it to assign ligands to human orphan GPCRs.

This paper introduces DISAE, a protein pre-training method for deorphanization, which improves generalizability and outperforms existing methods in predicting small molecule binding to orphan proteins.