M. Shahidul Islam
Assistant Professor
Department of chemistry
Sultan Qaboos University
Muscat, Oman
Phone: +968 24142351
E-mail: shahid.i@squ.edu.om
Citizenship: Canada
Education
PhD Computational Chemistry
2008
Memorial University, St. John’s, Newfoundland, Canada
Thesis: Computational study of reactions involving 3rd row elements and performance of theory
Supervisor: Dr. Raymond A. Poirier
Professional Experience
Sultan Qaboos University
2015 – Present
Assistant Professor; My research involve development and application of computational
chemistry methods to understand biological macromolecules such as the membrane proteins,
DNA bases and carbohydrates. I work closely with experimentalists around the world to better
understand these systems. I study membrane protein transporters which play important function
in our health. About 60% approved drug targets are also membrane proteins. A very important
class of membrane proteins is the ABC transporters, which are associated with a number of
human pathologies and play critical roles in the removal of cytotoxic agents. Currently, I am
studying the transport mechanism of these cytotoxic agents with latest simulation methods.
University of Chicago
Research Scientist; In the Department of Biochemistry and Molecular Biology
Advisor: Benoit Roux
2011 – 2014
University of Waterloo
Postdoctoral Fellow; in the Department of Chemistry
Advisor: Pierre-Nicholas Roy
2008 –2010
Most Resent Publications:
1. Shen, R.; Han, W.; Fiorin, G; Islam, S.M.; Schulten, K., and Roux, B. “Structural refinement of
proteins by restrained molecular dynamics simulations with non-interacting molecular fragment”
PLOS Comput. Biol., 2015, In press.
2. Islam, S.M. and Roux, B. “Simulating the Distance Distribution between Spin-Labels Attached to
Proteins” J. Phys. Chem. B, 2015, 119(10), 3901-3911 (highlighted in the journal cover page).
3. Kazmier, K.; Sharma, S.; Islam, S.M.; Roux, B.; Mchaourab, H.S. “Conformational cycle and ioncoupling mechanism of the Na+/hydantoin transporter Mhp1.” P. Natl. Acad. Sci. USA, 2014, 111,
14752-14757.
4. Jo, Sunwan; Cheng, X.; Islam, S.M.; Huan, L.; Han, W.; Roux, B.; MacKerell, A.D.; Im, W. "Chapter
Eight - CHARMM-GUI PDB manipulator for advanced biomolecular modeling and simulations"
Advances in Protein Chemistry and Structural Biology, 2014, 96, 235-264 (Book Chapter).
5. Kazmier, K.; Sharma, S.; Quick, M.; Islam, S.M.; Weinstein, H.; Javitch, J.A.; Roux, B.; Mchaourab,
H.S. “Conformational dynamics of ligand-dependent alternating access in LeuT” Nat. Struct. Mol. Biol,
2014, 21, 472-479.
6. Raghuraman, H.; Islam, S.M.; Mukhergie S.; Roux, B. and Perozo, E. “Dynamic transitions at the
outer vestibule of the KcsA potassium channel during gating”, P. Natl. Acad. Sci. USA, 2014, 111,
1831-1836.
7. Islam, S.M.; Stein, A.R.; Mchaourab, H. and Roux, B. “Structural refinement from RestrainedEnsemble simulations based on EPR/DEER data: application to T4 Lysozyme” J. Phys. Chem. B,
2013, 117, 4740-4754
8. Roux, B. and Islam, S.M. “Restrained-Ensemble molecular dynamics simulations based on distance
histograms from double electron-electron resonance spectroscopy” J. Phys. Chem. B, 2013, 117,
4733-4739
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