El Khoury, Léa ; Santos-Martins, Diogo ; Sasmal, Sukanya ; Eberhardt, Jérôme ; Bianco, Giulia ; Ambrosio, Francesca Alessandra ; Solis-Vasquez, Leonardo ; Koch, Andreas ; Forli, Stefano ; Mobley, David L. (2019)
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.
In: Journal of Computer-Aided Molecular Design, 33 (12)
doi: 10.1007/s10822-019-00240-w
Article, Bibliographie
| Item Type: | Article |
|---|---|
| Erschienen: | 2019 |
| Creators: | El Khoury, Léa ; Santos-Martins, Diogo ; Sasmal, Sukanya ; Eberhardt, Jérôme ; Bianco, Giulia ; Ambrosio, Francesca Alessandra ; Solis-Vasquez, Leonardo ; Koch, Andreas ; Forli, Stefano ; Mobley, David L. |
| Type of entry: | Bibliographie |
| Title: | Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4 |
| Language: | English |
| Date: | 6 November 2019 |
| Publisher: | Springer |
| Journal or Publication Title: | Journal of Computer-Aided Molecular Design |
| Volume of the journal: | 33 |
| Issue Number: | 12 |
| DOI: | 10.1007/s10822-019-00240-w |
| URL / URN: | https://link.springer.com/article/10.1007%2Fs10822-019-00240... |
| Additional Information: | Special Issue: Drug Design Data Resource: Grand Challenge 4 - Part 1 |
| Divisions: | 20 Department of Computer Science 20 Department of Computer Science > Embedded Systems and Applications |
| Date Deposited: | 22 Dec 2020 12:39 |
| Last Modified: | 22 Dec 2020 12:39 |
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