Imperial College London
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ProfessorIanGould

Faculty of Natural Sciences, Department of Chemistry

Senior Research Investigator
 
 
 
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Contact

 

+44 (0)20 7594 5809i.gould

 
 
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Location

 

110BMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Citation

BibTex format

@article{Aronica:2016:protein/gzw009,
author = {Aronica, PG and Verma, C and Popovic, B and Leatherbarrow, RJ and Gould, IR},
doi = {protein/gzw009},
journal = {Protein Engineering Design & Selection},
pages = {253--261},
title = {The Parasol Protocol for computational mutagenesis},
url = {http://dx.doi.org/10.1093/protein/gzw009},
volume = {29},
year = {2016}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - 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.
AU  - Aronica,PG
AU  - Verma,C
AU  - Popovic,B
AU  - Leatherbarrow,RJ
AU  - Gould,IR
DO  - protein/gzw009
EP  - 261
PY  - 2016///
SN  - 1741-0134
SP  - 253
TI  - The Parasol Protocol for computational mutagenesis
T2  - Protein Engineering Design & Selection
UR  - http://dx.doi.org/10.1093/protein/gzw009
UR  - http://www.ncbi.nlm.nih.gov/pubmed/27255759
UR  - http://hdl.handle.net/10044/1/34558
VL  - 29
ER  -
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