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Docking approaches for modeling multi-molecular assemblies.
Current Opinion in Structural Biology ( IF 6.1 ) Pub Date : 2020-06-29 , DOI: 10.1016/j.sbi.2020.05.016
Mireia Rosell 1 , Juan Fernández-Recio 1
Affiliation  

Computational docking approaches aim to overcome the limited availability of experimental structural data on protein-protein interactions, which are key in biology. The field is rapidly moving from the traditional docking methodologies for modeling of binary complexes to more integrative approaches using template-based, data-driven modeling of multi-molecular assemblies. We will review here the predictive capabilities of current docking methods in blind conditions, based on the results from the most recent community-wide blind experiments. Integration of template-based and ab initio docking approaches is emerging as the optimal strategy for modeling protein complexes and multimolecular assemblies. We will also review the new methodological advances on ab initio docking and integrative modeling.

中文翻译:

用于建模多分子组件的对接方法。

计算对接方法旨在克服蛋白质-蛋白质相互作用的实验结构数据的有限可用性,这是生物学的关键。该领域正在迅速从传统的二元复合物建模对接方法转向使用基于模板、数据驱动的多分子组件建模的更综合方法。我们将根据最近社区范围的盲实验的结果,在此回顾当前对接方法在盲条件下的预测能力。基于模板和 ab initio 对接方法的集成正在成为建模蛋白质复合物和多分子组装的最佳策略。我们还将回顾从头对接和集成建模的新方法论进展。
更新日期:2020-06-29
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