Andrew T. McNutt

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 4

Top Topics

Multitask Learning

Weakly Supervised

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

Andrew T. McNutt, David Ryan Koes
Open-ComBind: harnessing unlabeled data for improved binding pose prediction. J. Comput. Aided Mol. Des. 38 (1) (2024)
Andrew T. McNutt, Fatimah Bisiriyu, Sophia Song, Ananya Vyas, Geoffrey R. Hutchison, David Ryan Koes
Conformer Generation for Structure-Based Drug Design: How Many and How Good? J. Chem. Inf. Model. 63 (21) (2023)
Andrew T. McNutt, David Ryan Koes
Predictions with a Multitask Convolutional Siamese Network. J. Chem. Inf. Model. 62 (8) (2022)
Andrew T. McNutt, Paul G. Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Ryan Koes
GNINA 1.0: molecular docking with deep learning. J. Cheminformatics 13 (1) (2021)