Laura Shub

According to our database, Laura Shub authored at least 3 papers between 2022 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Autoparty: Machine Learning-Guided Visual Inspection of Molecular Docking Results.

Laura Shub, Magdalena Korczynska, Duncan F. Muir, Fang-Yu Lin, Brendan W. Hall, Alan M. Mathiowetz, Michael J. Keiser

J. Chem. Inf. Model., 2025

2024

Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks.

Zachary J. Gale-Day, Laura Shub, Kangway V. Chuang, Michael J. Keiser

J. Chem. Inf. Model., 2024

2022

Prioritizing Virtual Screening with Interpretable Interaction Fingerprints.

Alexandre V. Fassio, Laura Shub, Luca Ponzoni, Jessica McKinley, Matthew J. O'Meara, Rafaela Salgado Ferreira, Michael J. Keiser, Raquel Cardoso de Melo Minardi

J. Chem. Inf. Model., 2022