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用于COVID-19的分子特性诊断套件（MPDS）：一个开源的针对特定疾病的药物发现平台。

Molecular Property Diagnostic Suite for COVID-19 (MPDS): an open-source disease-specific drug discovery portal.

作者信息

Priyadarsinee Lipsa, Jamir Esther, Nagamani Selvaraman, Mahanta Hridoy Jyoti, Kumar Nandan, John Lijo, Sarma Himakshi, Kumar Asheesh, Gaur Anamika Singh, Sahoo Rosaleen, Vaikundamani S, Murugan N Arul, Priyakumar U Deva, Raghava G P S, Bharatam Prasad V, Parthasarathi Ramakrishnan, Subramanian V, Sastry G Madhavi, Sastry G Narahari

机构信息

CSIR-North East Institute of Science and Technology, Jorhat, 785006, India.

Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201002, India.

出版信息

GigaByte. 2024 Mar 14;2024:gigabyte114. doi: 10.46471/gigabyte.114. eCollection 2024.

DOI:10.46471/gigabyte.114
PMID:38525218
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10958779/
Abstract

UNLABELLED

Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS was developed for COVID-19 as a one-stop solution for drug discovery research. Galaxy platforms enable the creation of customized workflows connecting various modules in the web server. The architecture of MPDS effectively employs Galaxy v22.04 features, which are ported on CentOS 7.8 and Python 3.7. MPDS provides significant updates and the addition of several new tools updated after six years. Tools developed by our group in Perl/Python and open-source tools are collated and integrated into MPDS using XML scripts. Our MPDS suite aims to facilitate transparent and open innovation. This approach significantly helps bring inclusiveness in the community while promoting free access and participation in software development.

AVAILABILITY & IMPLEMENTATION: The MPDS portal can be accessed at https://mpds.neist.res.in:8085/.

摘要

未标注

分子特性诊断套件（MPDS）是作为一个基于Galaxy的开源疾病特定网络门户构思并开发的。MPDS是为新冠疫情开发的，作为药物发现研究的一站式解决方案。Galaxy平台能够创建连接网络服务器中各个模块的定制工作流程。MPDS的架构有效地采用了Galaxy v22.04的特性，这些特性移植到了CentOS 7.8和Python 3.7上。MPDS提供了重大更新，并在六年后添加了几个新的更新工具。我们团队用Perl/Python开发的工具和开源工具通过XML脚本进行整理并集成到MPDS中。我们的MPDS套件旨在促进透明和开放的创新。这种方法显著有助于在社区中实现包容性，同时促进免费访问和参与软件开发。

可用性与实施

可通过https://mpds.neist.res.in:8085/访问MPDS门户。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d86/10958779/d5f893ccb1d9/gigabyte-2024-114-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d86/10958779/3d26a18e93b8/gigabyte-2024-114-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d86/10958779/5bdf2cff3c83/gigabyte-2024-114-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d86/10958779/d5f893ccb1d9/gigabyte-2024-114-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d86/10958779/3d26a18e93b8/gigabyte-2024-114-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d86/10958779/f9a3a1e992c4/gigabyte-2024-114-g002.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9d86/10958779/d5f893ccb1d9/gigabyte-2024-114-g007.jpg

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