4.7 Article

Aggrescan3D standalone package for structure-based prediction of protein aggregation properties

期刊

BIOINFORMATICS
卷 35, 期 19, 页码 3834-3835

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OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btz143

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资金

  1. Ministry of Economy and Competitiveness, Spain [BIO2016 78310-R]
  2. National Science Center (NCN, Poland) Grant [MAESTRO2014/14/A/ST6/00088]

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Aggrescan3D (A3D) standalone is a multiplatform Python package for structure-based prediction of protein aggregation properties and rational design of protein solubility. A3D allows the re-design of protein solubility by combining structural aggregation propensity and stability predictions, as demonstrated by a recent experimental study. It also enables predicting the impact of protein conformational fluctuations on the aggregation properties. The standalone A3D version is an upgrade of the original web server implementation-it introduces a number of customizable options, automated analysis of multiple mutations and offers a flexible computational framework for merging it with other computational tools.

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