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 | 656 | 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), 1-20, 2021 | 186 | 2021 |
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 | 88 | 2018 |
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 | 56 | 2022 |
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 | 38 | 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 | 26 | 2020 |
Ligand pose optimization with atomic grid-based convolutional neural networks M Ragoza, L Turner, DR Koes arXiv preprint arXiv:1710.07400, 2017 | 25 | 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 | 20 | 2016 |
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 | 6 | 2022 |
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 | | 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 | | |