Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
40040060
Drug-target interaction (DTI) prediction speeds up drug repurposing, accelerates drug screening, and reduces drug design timeframe. Previous DTI prediction frameworks lack consideration for the multimodal nature of DTI, advanced feature representatio...
Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
40039158
Characterizing geometric and topological properties of protein structures encompassing surface pockets, interior cavities, and cross channels is important for understanding their functions. Our knowledge of protein structures has been greatly advance...
Deep machine learning demonstrates a capacity to uncover evolutionary relationships directly from protein sequences, in effect internalising notions inherent to classical phylogenetic tree inference. We connect these two paradigms by assessing the ca...
Journal of pharmaceutical and biomedical analysis
40031131
Protein structure characterization is critical for therapeutic protein drug development and production. Drop-coating deposition Raman (DCDR) spectroscopy offers rapid and cost-effective acquisition of vibrational spectral data characteristic of prote...
Food research international (Ottawa, Ont.)
40022412
Current detection methods for lipid and protein oxidation using hyperspectral imaging (HSI) in conjunction with machine learning (ML) necessitate the involvement of data scientists and domain experts to adjust the model architecture and tune hyperpar...
Solid-state nanopore and nanochannel biosensors have revolutionized protein detection by offering label-free, highly sensitive analyses. Traditional sensing systems (1st and 2nd stages) primarily focus on inner wall (IW) interactions, facing challeng...
Journal of chemical information and modeling
39993834
Natural Language Processing (NLP) has revolutionized the way computers are used to study and interact with human languages and is increasingly influential in the study of protein and ligand binding, which is critical for drug discovery and developmen...
Large Language Models for proteins, namely protein Language Models (pLMs), have begun to provide an important alternative to capturing the information encoded in a protein sequence in computers. Arguably, pLMs have advanced importantly to understandi...
Journal of chemical information and modeling
40053671
Proteins, as the fundamental macromolecules of life, play critical roles in various biological processes. Recent advancements in intelligent protein function prediction methods leverage sequences, structures, and biomedical literature data. Among the...
Journal of chemical information and modeling
40036330
In the quest for accelerating de novo drug discovery, the development of efficient and accurate scoring functions represents a fundamental challenge. This study introduces iScore, a novel machine learning (ML)-based scoring function designed to predi...