Rachit Kumar
@rachitk.bsky.social
MD-PhD student @ UPenn. Bioinformatician with a love for networks and graph-structured biomedical data. More info at https://rachitk.github.io. My views are my own, and do not represent the views of my institution.
Happy to announce that our preprint about our initial work on CASTER-DTA, an SE(3)-equivariant graph neural network model that uses 3D protein structures to predict binding affinity of proteins with drugs, is now available on biorxiv! 🧪
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...
CASTER-DTA: Equivariant Graph Neural Networks for Predicting Drug-Target Affinity
Accurately determining the binding affinity of a ligand with a protein is important for drug design, development, and screening. With the advent of accessible protein structure prediction methods such...
www.biorxiv.org
November 30, 2024 at 5:35 AM
Happy to announce that our preprint about our initial work on CASTER-DTA, an SE(3)-equivariant graph neural network model that uses 3D protein structures to predict binding affinity of proteins with drugs, is now available on biorxiv! 🧪
www.biorxiv.org/content/10.1...
www.biorxiv.org/content/10.1...