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The Parasol Protocol for computational mutagenesis

Aronica, PGA, Verma, C, Popovic, B, Leatherbarrow, RJ and Gould, IR (2016) The Parasol Protocol for computational mutagenesis. Protein Engineering, Design and Selection, 29 (7). pp. 253-261. ISSN 1741-0126

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Open Access URL: https://spiral.imperial.ac.uk:8443/handle/10044/1/... (Accepted version)

Abstract

To aid in the discovery and development of peptides and proteins as therapeutic agents, a virtual screen can be used to predict trends and direct workflow. We have developed the Parasol Protocol, a dynamic method implemented using the AMBER MD package, for computational site-directed mutagenesis. This tool can mutate between any pair of amino acids in a computationally expedient, automated manner. To demonstrate the potential of this methodology, we have employed the protocol to investigate a test case involving stapled peptides, and have demonstrated good agreement with experiment.

Item Type: Article
Additional Information: This is a pre-copyedited, author-produced version of an article accepted for publication in Protein Engineering, Design and Selection following peer review. The version of record P.G.A. Aronica, C. Verma, B. Popovic, R.J. Leatherbarrow, I. R. Gould; The Parasol Protocol for computational mutagenesis, Protein Engineering, Design and Selection, Volume 29, Issue 7, 1 July 2016, Pages 253–261, is available online at: https://doi.org/10.1093/protein/gzw009
Uncontrolled Keywords: 03 Chemical Sciences, 06 Biological Sciences, 10 Technology
Subjects: Q Science > QD Chemistry
Q Science > QR Microbiology
Divisions: Sport & Exercise Sciences
Publisher: Oxford University Press (OUP)
Related URLs:
Date Deposited: 26 Jun 2018 10:13
Last Modified: 26 Jun 2018 10:13
DOI or Identification number: 10.1093/protein/gzw009
URI: http://researchonline.ljmu.ac.uk/id/eprint/8859

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