Recent Advances in Docking and Scoring
Recent Advances in Docking and Scoring
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DOI：
10.2174/1573409052952314
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发表时间：
2005-01-01
影响因子：
1.7
通讯作者：
Langer, T.
中科院分区：
文献类型：
--
作者：
Krovat, E. M.;Steindl, T.;Langer, T.
本文综述了分子对接和评分领域的最新进展和新方面，并涵盖了多种应用和案例研究。简要讨论了对接的基本要求和不同算法。此外，影响对接结果的参数，结合不同的对接算法和评分功能，评分功能的性能，对接使用同源模型，配体和蛋白质的灵活性进行检查，以给出一个概述的国家的最先进的方法和调查的创新方法在分子对接和评分。关于大量的文献在这一领域，我们限制自己的几个重要进展，在过去两年中发表的对接和评分技术的概述，即我们认为出版物范围从2002年至2004年。
This review is focused on recent advances and new aspects in the field of molecular docking and scoring, and it covers multiple applications and case studies. Basic requirements and different algorithms for docking are briefly discussed. Moreover, parameters that influence docking results, combination of different docking algorithms and scoring functions, performance of scoring functions, docking using homology models, and ligand and protein flexibility are examined to give an overview of the state-of-the-art methods and a survey of innovative approaches in molecular docking and scoring. Regarding the enormous amount of literature in this field we restrict ourselves on an overview of several important advances in docking and scoring techniques published within the last two years, i.e. we considered publications ranging from 2002 to 2004.