ISAMBARD

ISAMBARD is a software tool that is designed to facilitate and accelerate the rational design of biomolecules. It provides a platform for structural analysis, model building, and rational design of biomolecules that is open-source, modular, computationally scalable, and intuitive to use. One of the key features of ISAMBARD is its ability to generalize tools for parametric modeling, which allows the overall shape of proteins to be described geometrically without input from experimentally determined structures.

By introducing backbone variability in a controlled manner, ISAMBARD enables the generation of backbone conformations for entire folds and assemblies that are not observed in nature, thereby accessing the 'dark matter of protein-fold space'. This feature makes ISAMBARD an important tool for exploring biomolecular design in silico for experts and non-experts alike.

Topic

Cheminformatics;Protein folding, stability and design;Protein structure analysis

Detail

  • Operation: Protein modelling;Protein structure analysis

  • Software interface: Command-line user interface

  • Language: Python

  • License: MIT License

  • Cost: Free

  • Version name: 2.3.1

  • Credit: The Biotechnology and Biological Sciences Research Council, the European Research Council, Royal Society Wolfson Research Merit Award.

  • Input: -

  • Output: -

  • Contact: d.n.woolfson@bristol.ac.uk;chris.wood@bristol.ac.uk

  • Collection: -

  • Maturity: Stable

Publications

  • ISAMBARD: an open-source computational environment for biomolecular analysis, modelling and design.
  • Wood CW, et al. ISAMBARD: an open-source computational environment for biomolecular analysis, modelling and design. ISAMBARD: an open-source computational environment for biomolecular analysis, modelling and design. 2017; 33:3043-3050. doi: 10.1093/bioinformatics/btx352
  • https://doi.org/10.1093/bioinformatics/btx352
  • PMID: 28582565
  • PMC: PMC5870769

Download and documentation

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