Perspective of drug design with high-performance computing

The representative applications, recent advances and possible future directions of computational drug design were summarized, aiming to accelerate the drug discovery with the assistance of the fast-developing high-performance computing.

Detalles Bibliográficos
Autores principales: Li, Zhe, Li, Hui, Yu, Kunqian, Luo, Hai-Bin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Information Science
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8692934/
https://www.ncbi.nlm.nih.gov/pubmed/34992787
http://dx.doi.org/10.1093/nsr/nwab105
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author Li, Zhe
Li, Hui
Yu, Kunqian
Luo, Hai-Bin
author_facet Li, Zhe
Li, Hui
Yu, Kunqian
Luo, Hai-Bin
author_sort Li, Zhe
collection PubMed
description The representative applications, recent advances and possible future directions of computational drug design were summarized, aiming to accelerate the drug discovery with the assistance of the fast-developing high-performance computing.
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spelling pubmed-86929342022-01-05 Perspective of drug design with high-performance computing Li, Zhe Li, Hui Yu, Kunqian Luo, Hai-Bin Natl Sci Rev Information Science The representative applications, recent advances and possible future directions of computational drug design were summarized, aiming to accelerate the drug discovery with the assistance of the fast-developing high-performance computing. Oxford University Press 2021-06-18 /pmc/articles/PMC8692934/ /pubmed/34992787 http://dx.doi.org/10.1093/nsr/nwab105 Text en © The Author(s) 2021. Published by Oxford University Press on behalf of China Science Publishing & Media Ltd. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Information Science
Li, Zhe
Li, Hui
Yu, Kunqian
Luo, Hai-Bin
Perspective of drug design with high-performance computing
title Perspective of drug design with high-performance computing
title_full Perspective of drug design with high-performance computing
title_fullStr Perspective of drug design with high-performance computing
title_full_unstemmed Perspective of drug design with high-performance computing
title_short Perspective of drug design with high-performance computing
title_sort perspective of drug design with high-performance computing
topic Information Science
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8692934/
https://www.ncbi.nlm.nih.gov/pubmed/34992787
http://dx.doi.org/10.1093/nsr/nwab105
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AT lihui perspectiveofdrugdesignwithhighperformancecomputing
AT yukunqian perspectiveofdrugdesignwithhighperformancecomputing
AT luohaibin perspectiveofdrugdesignwithhighperformancecomputing

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