Search Results for author:
Found 3 papers, 1 papers with code
Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer
Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics.
DIPS-Plus: The Enhanced Database of Interacting Protein Structures for Interface Prediction
In this work, we expand on a dataset recently introduced for this task, the Database of Interacting Protein Structures (DIPS), to present DIPS-Plus, an enhanced, feature-rich dataset of 42, 112 complexes for geometric deep learning of protein interfaces.
GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research
Protein-ligand docking is an in silico tool used to screen potential drug compounds for their ability to bind to a given protein receptor within a drug-discovery campaign.
Cannot find the paper you are looking for? You can
Submit a new open access paper.
