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蛋白质复合物建模。

Modeling of Protein Complexes.

机构信息

Department of Biology and Biotechnology, The Armenise-Harvard Laboratory of Structural Biology, University of Pavia, Pavia, Italy.

出版信息

Methods Mol Biol. 2023;2627:349-371. doi: 10.1007/978-1-0716-2974-1_20.

Abstract

The recent advances in structural biology, combined with continuously increasing computational capabilities and development of advanced softwares, have drastically simplified the workflow for protein homology modeling. Modeling of individual proteins is nowadays quick and straightforward for a large variety of protein targets, thanks to guided pipelines relying on advanced computational tools and user-friendly interfaces, which have extended and promoted the use of modeling also to scientists not focusing on molecular structures of proteins. Nevertheless, construction of models of multi-protein complexes remains quite challenging for the non-experts, often due to the usage of specific procedures depending on the system under investigation and the need for experimental validation approaches to strengthen the generated output.In this chapter, we provide a brief overview of the approaches enabling generation of multi-protein complex models starting from homology models of individual protein components. Using real-life examples, we include two examples to guide the reader in the generation of homomeric and heteromeric protein models.

摘要

近年来结构生物学的进展,结合不断提高的计算能力和先进软件的发展,极大地简化了蛋白质同源建模的工作流程。由于依赖先进计算工具和用户友好界面的引导管道,各种蛋白质靶标的单个蛋白质建模现在变得快速而直接,这也扩展和促进了建模的使用,即使对于不专注于蛋白质分子结构的科学家也是如此。然而,对于非专家来说,构建多蛋白复合物的模型仍然具有相当大的挑战性,这通常是由于使用特定的程序取决于所研究的系统,并且需要实验验证方法来加强生成的结果。在这一章中,我们简要概述了从单个蛋白质组件的同源建模开始生成多蛋白复合物模型的方法。使用实际示例,我们包括两个示例来指导读者生成同型和异型蛋白质模型。

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