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Using Integrative Modeling Platform to compute, validate, and archive a model of a protein complex structure
Protein Science ( IF 4.5 ) Pub Date : 2020-11-09 , DOI: 10.1002/pro.3995
Daniel J Saltzberg 1 , Shruthi Viswanath 2 , Ignacia Echeverria 1, 3 , Ilan E Chemmama 1 , Ben Webb 1 , Andrej Sali 1
Affiliation  

Biology is advanced by producing structural models of biological systems, such as protein complexes. Some systems are recalcitrant to traditional structure determination methods. In such cases, it may still be possible to produce useful models by integrative structure determination that depends on simultaneous use of multiple types of data. An ensemble of models that are sufficiently consistent with the data is produced by a structural sampling method guided by a data‐dependent scoring function. The variation in the ensemble of models quantified the uncertainty of the structure, generally resulting from the uncertainty in the input information and actual structural heterogeneity in the samples used to produce the data. Here, we describe how to generate, assess, and interpret ensembles of integrative structural models using our open source Integrative Modeling Platform program (https://integrativemodeling.org).

中文翻译:

使用 Integrative Modeling Platform 计算、验证和存档蛋白质复杂结构的模型

通过产生生物系统的结构模型(例如蛋白质复合物)来推进生物学。一些系统对传统的结构确定方法有抵抗力。在这种情况下,仍然可以通过依赖于同时使用多种类型数据的综合结构确定来产生有用的模型。与数据充分一致的模型集合是通过由数据相关评分函数引导的结构抽样方法产生的。模型集合的变化量化了结构的不确定性,通常是由于输入信息的不确定性和用于生成数据的样本中的实际结构异质性造成的。在这里,我们描述了如何使用我们的开源生成、评估和解释集成结构模型的集合集成建模平台程序 (https://integrativemodeling.org)。
更新日期:2020-12-15
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