MOTIVATION: Identifying antibody binding sites, is crucial for developing vaccines and therapeutic antibodies, processes that are time-consuming and costly. Accurate prediction of the paratope's binding site can speed up the development by improving ...
MOTIVATION: Identifying effective therapeutic targets poses a challenge in drug discovery, especially for uncharacterized diseases without known therapeutic targets (e.g. rare diseases, intractable diseases).
MOTIVATION: The accurate prediction of O-GlcNAcylation sites is crucial for understanding disease mechanisms and developing effective treatments. Previous machine learning (ML) models primarily relied on primary or secondary protein structural and re...
MOTIVATION: Machine learning-based scoring functions (MLBSFs) have been found to exhibit inconsistent performance on different benchmarks and be prone to learning dataset bias. For the field to develop MLBSFs that learn a generalizable understanding ...
MOTIVATION: The increasing accessibility of large-scale protein sequences through advanced sequencing technologies has necessitated the development of efficient and accurate methods for predicting protein function. Computational prediction models hav...
MOTIVATION: LLMs like GPT-4, despite their advancements, often produce hallucinations and struggle with integrating external knowledge effectively. While Retrieval-Augmented Generation (RAG) attempts to address this by incorporating external informat...
MOTIVATION: The drug-disease, gene-disease, and drug-gene relationships, as high-frequency edge types, describe complex biological processes within the biomedical knowledge graph. The structural patterns formed by these three edges are the graph moti...
MOTIVATION: The classification task based on whole-slide images (WSIs) is a classic problem in computational pathology. Multiple instance learning (MIL) provides a robust framework for analyzing whole slide images with slide-level labels at gigapixel...
MOTIVATION: T-cell receptors (TCRs) elicit and mediate the adaptive immune response by recognizing antigenic peptides, a process pivotal for cancer immunotherapy, vaccine design, and autoimmune disease management. Understanding the intricate binding ...
MOTIVATION: Recent experimental developments enable single-cell multimodal epigenomic profiling, which measures multiple histone modifications and chromatin accessibility within the same cell. Such parallel measurements provide exciting new opportuni...