| GNINA 1.0: molecular docking with deep learning AT McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ... Journal of Cheminformatics 13 (1), 1-20, 2021 | 298 | 2021 |
| Improving ΔΔG Predictions with a Multitask Convolutional Siamese Network AT McNutt, DR Koes Journal of Chemical Information and Modeling 62 (8), 1819-1829, 2022 | 19 | 2022 |
| In situ classification of cell types in human kidney tissue using 3D nuclear staining A Woloshuk, S Khochare, AF Almulhim, AT McNutt, D Dean, D Barwinska, ... Cytometry Part A 99 (7), 707-721, 2021 | 15 | 2021 |
| Integrated Cytometry With Machine Learning Applied to High-Content Imaging of Human Kidney Tissue for In Situ Cell Classification and Neighborhood Analysis S Winfree, AT McNutt, S Khochare, TJ Borgard, D Barwinska, AR Sabo, ... Laboratory Investigation 103 (6), 100104, 2023 | 9 | 2023 |
| Conformer Generation for Structure-Based Drug Design: How Many and How Good? AT McNutt, F Bisiriyu, S Song, A Vyas, GR Hutchison, DR Koes Journal of Chemical Information and Modeling 63 (21), 6598-6607, 2023 | 3 | 2023 |
| Open-ComBind: harnessing unlabeled data for improved binding pose prediction AT McNutt, DR Koes Journal of Computer-Aided Molecular Design 38 (1), 1-12, 2024 | | 2024 |
| Condensing Molecular Docking CNNs via Knowledge Distillation A McNutt, Y Li, P Francoeur, D Koes | | 2024 |
| Comparison of Supervised Machine Learning and Probabilistic Approaches for Record Linkage AT McNutt, SJ Grannis, N Bo, H Xu, SN Kasthurirathne AMIA Informatics summit 2019 Conference Proceedings., 2020 | | 2020 |
| Exploring∆∆ G prediction with Siamese Networks AT McNutt, D Koes | | |
David KoesAssociate Professor, University of PittsburghVerified email at pitt.edu
