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Matthew Ragoza
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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
7832017
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
3332021
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
1152022
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
992018
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
542020
Learning a continuous representation of 3D molecular structures with deep generative models
M Ragoza, T Masuda, DR Koes
arXiv preprint arXiv:2010.08687, 2020
312020
Ligand pose optimization with atomic grid-based convolutional neural networks
M Ragoza, L Turner, DR Koes
arXiv preprint arXiv:1710.07400, 2017
272017
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
222016
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
152022
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
12023
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
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