Identification of protein-protein interactions (PPI) is among the critical problems in the domain of bioinformatics. Previous studies have utilized different AI-based models for PPI classification with advances in artificial intelligence (AI) techniq...
IEEE/ACM transactions on computational biology and bioinformatics
Apr 3, 2023
Effectively identifying compound-protein interactions (CPIs) is crucial for new drug design, which is an important step in silico drug discovery. Current machine learning methods for CPI prediction mainly use one-demensional (1D) compound/protein str...
IEEE/ACM transactions on computational biology and bioinformatics
Apr 3, 2023
Protein secondary structure, solvent accessibility and torsion angle predictions are preliminary steps to predict 3D structure of a protein. Deep learning approaches have achieved significant improvements in predicting various features of protein str...
IEEE/ACM transactions on computational biology and bioinformatics
Apr 3, 2023
The understanding of protein functions is critical to many biological problems such as the development of new drugs and new crops. To reduce the huge gap between the increase of protein sequences and annotations of protein functions, many methods hav...
Identifying molecular targets of a drug is an essential process for drug discovery and development. The recent in-silico approaches are usually based on the structure information of chemicals and proteins. However, 3D structure information is hard to...
Drug-target binding affinity prediction plays a key role in the early stage of drug discovery. Numerous experimental and data-driven approaches have been developed for predicting drug-target binding affinity. However, experimental methods highly rely...
Deep learning has led to incredible breakthroughs in areas of research, from self-driving vehicles to solutions, to formal mathematical proofs. In the biomedical sciences, however, the revolutionary results seen in other fields are only now beginning...
Enzyme function annotation is a fundamental challenge, and numerous computational tools have been developed. However, most of these tools cannot accurately predict functional annotations, such as enzyme commission (EC) number, for less-studied protei...
Journal of chemical information and modeling
Mar 29, 2023
Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with enormous ramifications for both drug discovery and protein engineering. We build upon these advanc...
Accurate identification of protein-protein interaction (PPI) sites is significantly important for understanding the mechanism of life and developing new drugs. However, it is expensive and time-consuming to identify PPI sites using wet-lab experiment...
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.