基于集成建模平台的集成时空建模教程。

IF 4.5 3区 生物学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY
Protein Science Pub Date : 2025-04-01 DOI:10.1002/pro.70107
Andrew P Latham, Miha Rožič, Benjamin M Webb, Andrej Sali
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引用次数: 0

摘要

细胞通过大分子之间的动态相互作用发挥功能。大型生物分子系统动力学的详细表征通常是不可行的单个生物物理方法。在这种情况下,可以通过集成多个信息源来计算有用的模型。我们之前已经开发了一种综合方法,通过计算固定时间点的生物分子异质性来模拟动态过程,然后为每个异质性模型生成静态综合结构模型,最后将这些静态模型连接起来,生成描述该过程的得分轨迹模型。在这里,我们展示了如何使用我们的开源综合建模平台(IMP)程序(https://integrativemodeling.org/)来计算、评分和评估这些综合时空模型。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Tutorial on integrative spatiotemporal modeling by integrative modeling platform.

Cells function through dynamic interactions between macromolecules. Detailed characterization of the dynamics of large biomolecular systems is often not feasible by individual biophysical methods. In such cases, it may be possible to compute useful models by integrating multiple sources of information. We have previously developed an integrative method to model dynamic processes by computing biomolecular heterogeneity at fixed time points, then generating static integrative structural modes for each of these heterogeneity models, and finally connecting these static models to produce a scored trajectory model that depicts the process. Here, we demonstrate how to compute, score, and assess these integrative spatiotemporal models using our open-source Integrative Modeling Platform (IMP) program (https://integrativemodeling.org/).

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来源期刊
Protein Science
Protein Science 生物-生化与分子生物学
CiteScore
12.40
自引率
1.20%
发文量
246
审稿时长
1 months
期刊介绍: Protein Science, the flagship journal of The Protein Society, is a publication that focuses on advancing fundamental knowledge in the field of protein molecules. The journal welcomes original reports and review articles that contribute to our understanding of protein function, structure, folding, design, and evolution. Additionally, Protein Science encourages papers that explore the applications of protein science in various areas such as therapeutics, protein-based biomaterials, bionanotechnology, synthetic biology, and bioelectronics. The journal accepts manuscript submissions in any suitable format for review, with the requirement of converting the manuscript to journal-style format only upon acceptance for publication. Protein Science is indexed and abstracted in numerous databases, including the Agricultural & Environmental Science Database (ProQuest), Biological Science Database (ProQuest), CAS: Chemical Abstracts Service (ACS), Embase (Elsevier), Health & Medical Collection (ProQuest), Health Research Premium Collection (ProQuest), Materials Science & Engineering Database (ProQuest), MEDLINE/PubMed (NLM), Natural Science Collection (ProQuest), and SciTech Premium Collection (ProQuest).
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