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The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects
Bioinformatics ( IF 5.8 ) Pub Date : 2020-12-07 , DOI: 10.1093/bioinformatics/btaa774
Alessandro Pedretti 1 , Angelica Mazzolari 1 , Silvia Gervasoni 1 , Laura Fumagalli 1 , Giulio Vistoli 1
Affiliation  

The purpose of the article is to offer an overview of the latest release of the VEGA suite of programs. This software has been constantly developed and freely released during the last 20 years and has now reached a significant diffusion and technology level as confirmed by the about 22 500 registered users. While being primarily developed for drug design studies, the VEGA package includes cheminformatics and modeling features, which can be fruitfully utilized in various contexts of the computational chemistry. To offer a glimpse of the remarkable potentials of the software, some examples of the implemented features in the cheminformatics field and for structure-based studies are discussed. Finally, the flexible architecture of the VEGA program which can be expanded and customized by plug-in technology or scripting languages will be described focusing attention on the HyperDrive library including highly optimized functions.

中文翻译:

VEGA程序套件:用于化学信息学和药物设计项目的多功能平台

本文的目的是概述VEGA程序套件的最新版本。在过去的20年中,该软件一直在不断开发和免费发布,并且已经达到了显着的传播和技术水平,这一点已得到大约22 500个注册用户的确认。VEGA软件包主要是为药物设计研究而开发的,它包括化学信息学和建模功能,可以在计算化学的各种情况下有效地利用它们。为了让您一窥软件的巨大潜力,我们讨论了化学信息学领域以及基于结构的研究中已实现功能的一些示例。最后,
更新日期:2020-12-07
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