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The Parasol Protocol for computational mutagenesis
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![]() | Accepted version | 983.47 kB | Adobe PDF | View/Open |
Title: | The Parasol Protocol for computational mutagenesis |
Authors: | Aronica, PG Verma, C Popovic, B Leatherbarrow, RJ Gould, IR |
Item Type: | Journal Article |
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. |
Issue Date: | 4-May-2016 |
Date of Acceptance: | 15-Mar-2016 |
URI: | http://hdl.handle.net/10044/1/34558 |
DOI: | https://dx.doi.org/10.1093/protein/gzw009 |
ISSN: | 1741-0134 |
Publisher: | Oxford University Press (OUP) |
Start Page: | 253 |
End Page: | 261 |
Journal / Book Title: | Protein Engineering Design & Selection |
Volume: | 29 |
Issue: | 7 |
Copyright Statement: | © The Author 2016. Published by Oxford University Press. All rights reserved. |
Keywords: | In silico mutation Molecular dynamics Biophysics Chemical Sciences 06 Biological Sciences Technology |
Publication Status: | Published |
Conference Place: | England |
Appears in Collections: | Chemistry Biological and Biophysical Chemistry Faculty of Natural Sciences |