Laura Shub

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 5

Top Topics

Molecular Dynamics Simulations

Capillary Electrophoresis

Top Venues

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Zachary J Gale-Day, Laura Shub, Kangway V Chuang, Michael J Keiser
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks. Journal of chemical information and modeling 64 (14) (2024)
Zachary J Gale-Day, Laura Shub, Kangway V Chuang, Michael J Keiser
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks. Journal of chemical information and modeling (2024)
Zachary J Gale-Day, Laura Shub, Kangway V Chuang, Michael J Keiser
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks. Journal of chemical information and modeling 64 (14) (2024)
Zachary J Gale-Day, Laura Shub, Kangway V Chuang, Michael J Keiser
Proximity Graph Networks: Predicting Ligand Affinity with Message Passing Neural Networks. Journal of chemical information and modeling 64 (14) (2024)
Alexandre V Fassio, Laura Shub, Luca Ponzoni, Jessica L McKinley, Matthew J O'Meara, Rafaela S Ferreira, Michael J Keiser, Raquel C de Melo Minardi
Prioritizing Virtual Screening with Interpretable Interaction Fingerprints. Journal of chemical information and modeling 62 (18) (2022)