C&EN

Orange Pomace-Derived Fluorescent Carbon Quantum Dots: Detection of Dual Analytes in the Nanomolar Range

School of Chemistry and Biochemistry, Senior Research Fellow─TIET-Virginia Tech Center of Excellence in Emerging Materials, Thapar Institute of Engineering and Technology, Patiala 147004, India ...
IEEE

Local–Global Structure-Aware Geometric Equivariant Graph Representation Learning for Predicting Protein–Ligand Binding Affinity

Abstract: Predicting protein-ligand binding affinities is a critical problem in drug discovery and design. A majority of existing methods fail to accurately characterize and exploit the geometrically ...
IEEE

Equivariant Line Graph Neural Network for Protein-Ligand Binding Affinity Prediction

Binding affinity prediction of three-dimensional (3D) protein-ligand complexes is critical for drug repositioning and virtual drug screening. Existing approaches usually transform a 3D protein-ligand ...