An open-source drug discovery platform enables ultra-large virtual screens-Reference-Cited by-同舟云学术

An open-source drug discovery platform enables ultra-large virtual screens

Published:2020-03-09 Issue:7805 Volume:580 Page:663-668
ISSN:0028-0836
Container-title:Nature
language:en
Short-container-title:Nature

Author:

Gorgulla Christoph^ORCID,Boeszoermenyi Andras^ORCID,Wang Zi-Fu,Fischer Patrick D.^ORCID,Coote Paul W.,Padmanabha Das Krishna M.^ORCID,Malets Yehor S.^ORCID,Radchenko Dmytro S.^ORCID,Moroz Yurii S.^ORCID,Scott David A.^ORCID,Fackeldey Konstantin^ORCID,Hoffmann Moritz^ORCID,Iavniuk Iryna^ORCID,Wagner Gerhard,Arthanari Haribabu^ORCID

Publisher

Springer Science and Business Media LLC

Subject

Multidisciplinary

Link

http://www.nature.com/articles/s41586-020-2117-z.pdf

Reference35 articles.

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3. Zhang, S., Kumar, K., Jiang, X., Wallqvist, A. & Reifman, J. DOVIS: an implementation for high-throughput virtual screening using AutoDock. BMC Bioinformatics 9, 126 (2008).

4. Jiang, X., Kumar, K., Hu, X., Wallqvist, A. & Reifman, J. DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0. Chem. Cent. J. 2, 18 (2008).

5. Hassan, N. M., Alhossary, A. A., Mu, Y. & Kwoh, C.-K. Protein-ligand blind docking using QuickVina-W with inter-process spatio-temporal integration. Sci. Rep. 7, 15451 (2017).

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