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Jocelyn Sunseri
Jocelyn Sunseri
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Title
Cited by
Cited by
Year
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
Pharmit: interactive exploration of chemical space
J Sunseri, DR Koes
Nucleic acids research 44 (W1), W442-W448, 2016
2972016
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
2002020
Open source molecular modeling
S Pirhadi, J Sunseri, DR Koes
Journal of Molecular Graphics and Modelling 69, 127-143, 2016
1092016
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
Libmolgrid: graphics processing unit accelerated molecular gridding for deep learning applications
J Sunseri, DR Koes
Journal of chemical information and modeling 60 (3), 1079-1084, 2020
472020
Virtual Screening with Gnina 1.0
J Sunseri, DR Koes
Molecules 26 (23), 7369, 2021
292021
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
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
3D Convolutional Neural Networks for Computational Drug Discovery
J Sunseri
University of Pittsburgh, 2021
12021
Recurrent neural network modeling of molecular data sequentialized in time and space
J Sunseri, D Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Versatile grid-based molecular input library optimized for machine learning
J Sunseri, D Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
GPU molecular docking with convolutional neural network scoring functions
J Sunseri, D Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
GPU implementation of molecular docking with applications to receptor flexibility and energy landscape sampling
J Sunseri, D Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
Characterization of Profilin Binding Kinetics using Ensemble Molecular Dynamics Simulations
J Sunseri, DR Koes, P Roy, D Gau
Biophysical Journal 112 (3), 287a, 2017
2017
GPU implementation of energy minimization for virtual screening
J Sunseri, DR Koes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Benchmarking computational methods for binding free-energy estimation
J Sunseri, 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, ...
Technical Details
J Sunseri, DR Koes
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