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Expert Opinion on Drug Discovery Volume 13, 2018 - Issue 7
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Editorial

Advancing drug discovery via GPU-based deep learning

Erik GawehnDepartment of Chemistry and Applied Biosciences, Swiss Federal Institute of Technology (ETH), Zurich, SwitzerlandView further author information
,
Jan A. HissDepartment of Chemistry and Applied Biosciences, Swiss Federal Institute of Technology (ETH), Zurich, SwitzerlandView further author information
,
J. B. BrownLaboratory for Molecular Biosciences, Life Science Informatics Research Unit, Kyoto University Graduate School of Medicine, Kyoto, JapanView further author information
&
Gisbert SchneiderDepartment of Chemistry and Applied Biosciences, Swiss Federal Institute of Technology (ETH), Zurich, SwitzerlandCorrespondence[email protected]
ORCID Iconhttp://orcid.org/0000-0001-6706-1084View further author information
ORCID Icon
Pages 579-582 | Received 13 Feb 2018, Accepted 12 Apr 2018, Published online: 18 Apr 2018

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Shahid Parwez, Pinaki Parsad Mahapatra, Shakil Ahmed & Mohammad Imran Siddiqi. (2023) Identification of novel TACE inhibitors using DNN based- virtual screening, molecular dynamics and biological evaluation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-12.
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Neelakandan A. R.Rajanikant G. K.. (2023) A deep learning and docking simulation-based virtual screening strategy enables the rapid identification of HIF-1α pathway activators from a marine natural product database. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-23.
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José Jiménez-Luna, Francesca Grisoni, Nils Weskamp & Gisbert Schneider. (2021) Artificial intelligence in drug discovery: recent advances and future perspectives. Expert Opinion on Drug Discovery 16:9, pages 949-959.
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Dominik Horwat, Marek Krośnicki, Tomasz Urbańczyk & Jarosław Koperski. (2021) Deep neural network for fitting analytical potential energy curve of diatomic molecules from ro-vibrational spectra. Molecular Simulation 47:8, pages 650-658.
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Yinqiu Xu, Hequan Yao & Kejiang Lin. (2018) An overview of neural networks for drug discovery and the inputs used. Expert Opinion on Drug Discovery 13:12, pages 1091-1102.
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