| Protein–ligand scoring with convolutional neural networks M Ragoza, J Hochuli, E Idrobo, J Sunseri, DR Koes Journal of chemical information and modeling 57 (4), 942-957, 2017 | 863 | 2017 |
| 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 | 492 | 2021 |
| Generating 3D molecules conditional on receptor binding sites with deep generative models M Ragoza, T Masuda, DR Koes Chemical science 13 (9), 2701-2713, 2022 | 166 | 2022 |
| Visualizing convolutional neural network protein-ligand scoring J Hochuli, A Helbling, T Skaist, M Ragoza, DR Koes Journal of Molecular Graphics and Modelling 84, 96-108, 2018 | 103 | 2018 |
| Generating 3d molecular structures conditional on a receptor binding site with deep generative models T Masuda, M Ragoza, DR Koes arXiv preprint arXiv:2010.14442, 2020 | 58 | 2020 |
| Learning a continuous representation of 3D molecular structures with deep generative models M Ragoza, T Masuda, DR Koes arXiv preprint arXiv:2010.08687, 2020 | 36 | 2020 |
| Adversarial consistency for single domain generalization in medical image segmentation Y Xu, S Xie, M Reynolds, M Ragoza, M Gong, K Batmanghelich International Conference on Medical Image Computing and Computer-Assisted …, 2022 | 31 | 2022 |
| Ligand pose optimization with atomic grid-based convolutional neural networks M Ragoza, L Turner, DR Koes arXiv preprint arXiv:1710.07400, 2017 | 29 | 2017 |
| A D3R prospective evaluation of machine learning for protein-ligand scoring J Sunseri, M Ragoza, J Collins, DR Koes Journal of computer-aided molecular design 30, 761-771, 2016 | 21 | 2016 |
| Physics-Informed Neural Networks for Tissue Elasticity Reconstruction in Magnetic Resonance Elastography M Ragoza, K Batmanghelich International Conference on Medical Image Computing and Computer-Assisted …, 2023 | 4 | 2023 |
| Adversarial consistency for single domain generalization in medical image segmentation K Batmanghelich, Y Xu, S Xie, M Reynolds, M Ragoza, M Gong Lecture Notes in Artificial Intelligence, 2022 | | 2022 |
| Alternative network architectures for protein-ligand scoring L Turner, P Mittal, M Ragoza, D Koes ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Visualization of convolutional neural network scoring of protein-ligand binding J Hochuli, M Ragoza, DR Koes ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| 3Dmol. js: Chemical structure visualization for the modern web J Collins, M Ragoza, J Jensen, D Koes ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Supporting Information: GNINA 1.0: Molecular docking with deep learning A McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ... | | |
| 3D Molecular Representation and Modeling using Deep Learning T Masuda, M Ragoza, DR Koes | | |
David KoesAssociate Professor, University of PittsburghVerified email at pitt.edu