Oxford University, Structural Bioinformatics & Computational Biochemistry Unit
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Firdaus Samsudin

Structural Bioinformatics and Computational Biochemistry Unit
Dept. of Biochemistry
University of Oxford
South Parks Road
Oxford
OX1 3QU
U.K.

Telephone: 01865 613304
Fax: 01865 613238

e-mail: mohd.samsudin@wolfson.ox.ac.uk

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Computational Studies of PepT Transporter

PepT is a proton-coupled peptide transporter responsible for the uptake of di- and tri-peptides in intestine and kidney. Interestingly, it has been found that this transporter also facilitates absorption of pharmaceutically-important compounds such as beta-lactam antibiotics and anti-cancer drugs. Hence, understanding the mechanism of transport is of major interest. Recently, a crystal structure of PepT bacterial homolog (PepTso) has been published (Newstead et al, 2011), providing a good model system for our current study. My recent work involves:

Coarse-grained MD simulation of PepTso to look at hydrophobic mismatch-driven oligomerisation

Homology modeling of PepT1 and PepT2 transporters based on PepTso structure

pKa calculation of key charged residues in PepTso using atomistic MD Free Energy simulation


Background

I completed my BSc in Biotechnology in July 2011 at Imperial College London. My final year project was on "Biophysical Aspects in Gene Regulation: Bistability and Hysteresis". This was a systems biology approach to study multistability in gene expression systems of Lac operon and GAL regulon.

I joined the group as an MSc by Research student in October 2011 and I am currently under the supervision of Prof Mark Sansom and Dr Philip W. Fowler. I am a graduate student in Wolfson college.


Publications

Last updated 27/02/12