| 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), 43, 2021 | 494 | 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 | 26 | 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 | 23 | 2021 |
| 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 | 17 | 2023 |
| 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 | 14 | 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 | 2 | 2024 |
| SPRINT Enables Interpretable and Ultra-Fast Virtual Screening against Thousands of Proteomes AT McNutt, AK Adduri, CN Ellington, MT Dayao, EP Xing, H Mohimani, ... arXiv preprint arXiv:2411.15418, 2024 | 1 | 2024 |
| Interpretable adenylation domain specificity prediction using protein language models A Adduri, A McNutt, C Ellington, K Suraparaju, N Fang, D Yan, ... bioRxiv, 2025.01. 13.632878, 2025 | | 2025 |
| Duvelisib is a novel NFAT inhibitor that mitigates adalimumab-induced immunogenicity A Bhingarkar, Y Wang, K Hoshitsuki, KM Eichinger, S Rathod, Y Zhu, ... Frontiers in Pharmacology 15, 1397995, 2025 | | 2025 |
| 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