Ian Grant, MSci PhD
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Research field: Biological Sciences - Genetics
Computational chemistry, molecular dynamics simulation, computational enzymology, quantum chemistry, molecular modelling, computational biology
Publications
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Journal Article (1)
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Anna Louise Bowman, Ian M Grant, Adrian J Mulholland (2008) QM/MM simulations predict a covalent intermediate in the hen egg white lysozyme reaction with its natural substrate, 4425-4427. In Chemical Communications.Download PDF (371.96 KB)Download PDF (359.3 KB)
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Book Section (1)
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Ian M Grant, Adrian J Mulholland (2007) Computational Enzymology: Insights into Enzyme Mechanism and Catalysis from Modelling, 275-304. In Molecular Materials with Specific Interactions – Modeling and Design.Download PDF (321.86 KB)
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Thesis (1)
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Magazine Article (1)
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Nina Garlo (2012) Nature’s subway: Do enzymes use tunnelling to take a shortcut?, 13-15. In PRACE Scientific Annual Report.Download PDF (3.37 MB)
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Awards and Grants
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May 2012PCCP 'Hot Topic' prize at the Bunsentagung 2012 meeting, Leipzig, Germany View website
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Jul 2011Poster prize at the WATOC 9th triennial congress, Santiago de Compostela, Spain View website
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Nov 2010HPC funding: Partnership for Advanced Computing in Europe (PRACE) 1st call (32,000,000 core-hours) View website
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Jun 2006Poster prize at the ISQBP President's Meeting, Strasbourg, France View website
Biographical Information
I am currently an MRC Career Development Fellow in the group of Mike Gilchrist at the MRC National Institute for Medical Research. The group is part of the systems biology division and uses computational tools and genetic methods to understand early embryo development. Prior to this, I worked in the group of Prof. Dominik Marx, at Ruhr-Universität Bochum, in Germany. My research there consisted of computational simulation of proteins and enzymatic catalysis, via techniques such as molecular dynamics simoulation and electronic structure calculation. I completed my Ph.D. thesis at the University of Bristol under the supervision of Prof. Adrian Mulholland, also in the field of computational enzymology.
CV
Professional Experience
2012 - Present
Jun 2010 - Jun 2012
Postdoctoral Research Associate at Center for Theoretical Chemistry, Ruhr-University Bochum
Bochum, Germany
Bochum, Germany
Education
Sep 2004 - Dec 2009
Sep 1998 - Jun 2003
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