Laura Shub
4PUBLICATIONS
11CO-AUTHORS
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Publications (4)
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|Jul 29, 2025
Autoparty: Machine Learning-Guided Visual Inspection of Molecular Docking Results.Laura Shub, Magdalena Korczynska, Duncan F Muir
|Jul 04, 2025
MIC: A deep learning tool for assigning ions and waters in cryo-EM and crystal structures.Laura Shub, Wenjin Liu, Georgios Skiniotis
|Jul 02, 2024
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks.Zachary J Gale-Day, Laura Shub, Kangway V Chuang
|Sep 14, 2022
Prioritizing Virtual Screening with Interpretable Interaction Fingerprints.Alexandre V Fassio, Laura Shub, Luca Ponzoni
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Frequent Collaborators
4 joint publications
Michael J Keiser
1 joint publications
Alexandre V Fassio
1 joint publications
Luca Ponzoni
1 joint publications
Jessica McKinley
1 joint publications
Matthew J O'Meara
1 joint publications
Raquel C de Melo Minardi
1 joint publications
Zachary J Gale-Day
1 joint publications
Kangway V Chuang
1 joint publications
Georgios Skiniotis
1 joint publications
Michael J Robertson
