The Parasol Protocol for computational mutagenesis
File(s)Proof Commented.pdf (983.47 KB)
Accepted version
Author(s)
Aronica, PG
Verma, C
Popovic, B
Leatherbarrow, RJ
Gould, IR
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.
Date Issued
2016-05-04
Date Acceptance
2016-03-15
Citation
Protein Engineering Design & Selection, 2016, 29 (7), pp.253-261
ISSN
1741-0134
Publisher
Oxford University Press (OUP): Policy B - Oxford Open Option B
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.
Identifier
http://www.ncbi.nlm.nih.gov/pubmed/27255759
PII: gzw009
Subjects
In silico mutation
Molecular dynamics
Biophysics
Chemical Sciences
06 Biological Sciences
Technology
Publication Status
Published
Coverage Spatial
England