用于药物设计和发现的计算软件工具综述

Jimish R. Patel, H. Joshi, Ujashkumar A. Shah, Jayvadan K. Patel
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引用次数: 7

摘要

在通过计算机辅助药物设计进行现代药物设计和开发的当今时代,计算软件工具的潜在作用在使用中被广泛扩大。基于计算机的药物设计在新药发现过程中具有革命性意义,因为这些过程快速,省时,节省成本,具有更有效的药理活性。计算机药物设计主要应用于药物设计,在新药研究中取得了许多成功。在药物设计中有很多可用的软件;然而;不过,在使用过程中也出现了许多问题。为了澄清这些问题,本文尝试提供了世界范围内使用的189种计算工具的信息,并提供了软件工具的引用、下载链接、计算机操作系统和可用软件工具的应用,如分子建模、对接、蛋白质构象、药团映射、ADMET、对接姿态可视化、力场计算、同源建模、3D结构生成器、计算晶体学、蛋白质数据库,计算软件。这个重要的信息启发了所有的软件,从老软件到新软件。综述文章对广泛使用的药物设计软件的选择和应用具有重要意义。©2022全球研究与出版基金会。版权所有。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Review on Computational Software Tools for Drug Design and Discovery
In the current era of modern drug design & development via computer-aided drug design, the potential role of computational software tools is widely enlarged in use. Computer-based drug design is revolutionary in the new drug discovery process because these processes are fast, time, and cost-saving with more efficient pharmacological activity. Computer-Based drug design is mainly applied for the drug-design and gets many successes in new drug research. There is plenty of software available in drug design; however; still, many issues are rising during its use. To clarify these issues, an attempt has been provided here in this article about the information about worldwide used 189 computation tools along with citation of software tools, download links, computer operative system and application of tools for available software such as Molecular modeling, docking, proteins conformation, pharmacophore mapping, ADMET, Docking pose visualization, force field calculation, homology modeling, 3D structure generator, Computational Crystallography, protein Database, and calculation software. This vital information enlightens all the software right from old to a recent one. Review article important for choice and application of wide-reaching used Drug Design software.©2022iGlobal Research and PublishingFoundation. All rights reserved.
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