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D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU

Santos-Martins, Diogo ; Eberhardt, Jerome ; Bianco, Giulia ; Solis-Vasquez, Leonardo ; Ambrosio, Francesca Alessandra ; Koch, Andreas ; Forli, Stefano (2019):
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.
In: Journal of Computer-Aided Molecular Design, 33 (12), pp. 1071-1081. Springer, ISSN 0920-654X,
DOI: 10.1007/s10822-019-00241-9,
[Article]

Item Type: Article
Erschienen: 2019
Creators: Santos-Martins, Diogo ; Eberhardt, Jerome ; Bianco, Giulia ; Solis-Vasquez, Leonardo ; Ambrosio, Francesca Alessandra ; Koch, Andreas ; Forli, Stefano
Title: D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU
Language: English
Journal or Publication Title: Journal of Computer-Aided Molecular Design
Journal volume: 33
Number: 12
Publisher: Springer
Divisions: 20 Department of Computer Science
20 Department of Computer Science > Embedded Systems and Applications
Date Deposited: 22 Dec 2020 12:44
DOI: 10.1007/s10822-019-00241-9
Official URL: https://link.springer.com/article/10.1007%2Fs10822-019-00241...
Additional Information:

Special Issue: Drug Design Data Resource: Grand Challenge 4 - Part 1

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