分子对接:一个全面的视角

Sushil S. Burle, Krishna R. Gupta, Yogeshri J. Jibhkate, Atul T. Hemke, Milind J Umekar
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引用次数: 0

摘要

分子对接软件主要用于药物开发。分子对接为药物的创造和分析提供了广泛的有用技术。在此之前,预测受体的靶点是极具挑战性的,然而,目前将靶蛋白与配体对接是一种简单可靠的方法,并且设计了结合亲和力。为了观察分子的三维结构,人们创造了各种对接工具。还可以使用各种计算技术来检查对接分数。本文主要介绍了分子对接的核心思想、分子对接的主要用途和多种相互作用、分子对接的基本要求、分子方法、应用以及分子对接的软件。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Insights into molecular docking: A comprehensive view
Molecular docking software is mainly used in drug development. Molecular docking offers a wide range of useful techniques for the creation and analysis of pharmaceuticals. Before now, predicting the target for a receptor was extremely challenging however, docking the target protein with a ligand is a straightforward and dependable procedure presently and binding affinity is designed. To see a molecule's three-dimensional structure, a variety of docking tools have been created. The docking score can also be examined using a variety of computational techniques. This review mainly emphases on the core idea of molecular docking, as well as its major uses and many kinds of interaction, Basics requirements for molecular docking, Molecular Approach, Application, and Software available for the Docking of molecules.
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