Follow
Paul G. Francoeur
Title
Cited by
Cited by
Year
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
3252021
Three-dimensional convolutional neural networks and a cross-docked data set for structure-based drug design
PG Francoeur, T Masuda, J Sunseri, A Jia, RB Iovanisci, I Snyder, ...
Journal of chemical information and modeling 60 (9), 4200-4215, 2020
1962020
SolTranNet–A machine learning tool for fast aqueous solubility prediction
PG Francoeur, DR Koes
Journal of chemical information and modeling 61 (6), 2530-2536, 2021
582021
Convolutional neural network scoring and minimization in the D3R 2017 community challenge
J Sunseri, JE King, PG Francoeur, DR Koes
Journal of computer-aided molecular design 33, 19-34, 2019
572019
Actin-binding protein profilin1 promotes aggressiveness of clear-cell renal cell carcinoma cells
A Allen, D Gau, P Francoeur, J Sturm, Y Wang, R Martin, J Maranchie, ...
Journal of Biological Chemistry 295 (46), 15636-15649, 2020
242020
BigBind: learning from nonstructural data for structure-based virtual screening
M Brocidiacono, P Francoeur, R Aggarwal, KI Popov, DR Koes, A Tropsha
Journal of Chemical Information and Modeling 64 (7), 2488-2495, 2023
72023
GNINA 1.0: molecular docking with deep learning. J Cheminform 13: 43
AT McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ...
62021
Inhibition of ocular neovascularization by novel anti-angiogenic compound
D Gau, L Vignaud, P Francoeur, D Koes, X Guillonneau, P Roy
Experimental eye research 213, 108861, 2021
42021
3D Convolutional neural networks and a crossdocked dataset for structure-based drug design
P Francoeur, T Masuda, J Sunseri, A Jia, RB Iovanisci, I Snyder, DR Koes
J Chem Inf Model, 2020
22020
Condensing Molecular Docking CNNs via Knowledge Distillation
A McNutt, Y Li, P Francoeur, D Koes
2024
Advancing Machine Learning for Small Molecule Property Prediction
PG Francoeur
University of Pittsburgh, 2024
2024
Expanding Training Data for Structure-Based Receptor–Ligand Binding Affinity Regression through Imputation of Missing Labels
PG Francoeur, DR Koes
ACS omega 8 (44), 41680-41688, 2023
2023
Profilin1: actin inhibitor as an anti-angiogenic compound
P Roy, L McDERMOTT, AE Allen, D Koes, DM Gau, PG Francoeur, ...
US Patent App. 18/019,219, 2023
2023
Active Learning for Small Molecule pKa Regression; a Long Way To Go
P Francoeur, D Penaherrera, D Koes
2022
Exploring sequence-to-sequence learning methods for end-to-end, complete protein structure prediction
J King, P Francoeur, D Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Predicting protein-ligand binding affinity with gnina
P Francoeur, D Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
First-generation small molecule antagonists of profilin1 suppresses pathological retinal neovascularization
X Guillonneau, J Sturm, P Francoeur, P Roy
Investigative Ophthalmology & Visual Science 60 (9), 2787-2787, 2019
2019
DREAMing of big data and scalable machine learning: Predicting kinase binding with matrix factorization
D Koes, J King, P Francoeur, A Kowalczyk, S Rajashekar, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Supporting Information: GNINA 1.0: Molecular docking with deep learning
A McNutt, P Francoeur, R Aggarwal, T Masuda, R Meli, M Ragoza, ...
Supporting Information: 3D Convolutional Neural Networks and a CrossDocked Data Set for Structure-Based Drug Design
PG Francoeur, T Masuda, DR Koes
The system can't perform the operation now. Try again later.
Articles 1–20