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ISAMBARD: an open-source computational environment for biomolecular analysis, modelling and design

Research output: Contribution to journalArticle

Original languageEnglish
Article numberbtx352
Pages (from-to)3043-3050
Number of pages8
JournalBioinformatics
Volume33
Issue number19
Early online date5 Jun 2017
DOIs
DateAccepted/In press - 29 May 2017
DateE-pub ahead of print - 5 Jun 2017
DatePublished (current) - 2017

Abstract

Motivation The rational design of biomolecules is becoming a reality. However, further computational tools are needed to facilitate and accelerate this, and to make it accessible to more users. Results Here we introduce ISAMBARD, a tool for structural analysis, model building and rational design of biomolecules. ISAMBARD is open-source, modular, computationally scalable and intuitive to use. These features allow non-experts to explore biomolecular design in silico. ISAMBARD addresses a standing issue in protein design, namely, how to introduce backbone variability in a controlled manner. This is achieved through the generalization of tools for parametric modelling, describing the overall shape of proteins geometrically, and without input from experimentally determined structures. This will allow backbone conformations for entire folds and assemblies not observed in nature to be generated de novo, that is, to access the â € dark matter of protein-fold space'. We anticipate that ISAMBARD will find broad applications in biomolecular design, biotechnology and synthetic biology.

    Research areas

  • synthetic biology

    Structured keywords

  • BrisSynBio
  • Bristol BioDesign Institute

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    Rights statement: This is the final published version of the article (version of record). It first appeared online via Oxford University Press at https://academic.oup.com/bioinformatics/article/doi/10.1093/bioinformatics/btx352/3861331/ISAMBARD-an-open-source-computational-environment. Please refer to any applicable terms of use of the publisher.

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