Postdoctoral Researcher Hisham Dokainish
EDUCATION
| 2014 |
Ph. D. (Chemistry and Biochemistry) University of Windsor, Canada |
| 2010 |
M. Sc. (Chemistry) University of New Brunswick, Canada |
| 2004 |
B. Phm. (Pharmacy) Helwan University, Egypt |
RESEARCH EXPERIENCES
| 2018.4 – present |
Postdoctoral Researcher, RIKEN Theoretical Molecular Science Laboratory, Japan |
| 2017.7 – 2018.3 |
Postdoctoral Researcher, Tokyo Institute of Technology, Japan |
| 2014.12 – 2017.6 |
Postdoctoral Researcher, University of Tokyo, Japan |
AWARDS AND FELLOWSHIPS/SCHOLARSHIPS
| 2014 |
Mitacs Elevate Postdoctoral Fellowship, Canada. |
| 2014 |
NVIDIA Rising Star Award at the Canadian Society of Chemistry Conference for best presentation, Vancouver, Canada. |
| 2010-2014 |
Tuition Scholarship, University of Windsor, Canada. |
| 2010-2012 |
International Doctoral Excellence Scholarship, University of Windsor, Canada. |
PROFESSIONAL AFFILIATIONS
Canadian Society of Chemistry, Japan Biophysical Society
RESEARCH PROJECTS
- Protein Crowding in Cellular Environment
PUBLICATIONS
Peer review articles
- Unraveling the Coupling between Conformational Changes and Ligand Binding in Ribose Binding Protein Using Multiscale Molecular Dynamics and Free-Energy Calculations.
W. Ren, H. M Dokainish, A. Shinobu, H. Oshima, Y. Sugita
J. Phys. Chem. B, 125(11), 2898–2909 (2021)
- Elucidation of interactions regulating conformational stability and dynamics of SARS-CoV-2 S-protein.
T. Mori, J. Jung, C. Kobayashi, H. M. Dokainish, S. Re, and Y. Sugita
Biophys. J., 120, 1060-1071 (2021)
- Exploring Large Domain Motions in Proteins Using Atomistic Molecular Dynamics with Enhanced Conformational Sampling.
H. M. Dokainish, Yuji Sugita
Int. J. Mol. Sci., 22, 270 (2021).
- Electron Fate and Mutational Robustness in the Mechanism of (6-4) Photolyase-Mediated DNA Repair.
H. M. Dokainish, D. Yamada, T. Iwata, H. Kandori, A. Kitao*
ACS. Catal., 7, 4835-4845 (2017).
- A Pseudohypervalent Sulfur Intermediate as an Oxidative Protective Mechanism in the Archaea Peroxiredoxin Enzyme ApTPx.
H. M. Dokainish, D. J. Simard, J. W. Gauld*
J. Phys. Chem. B, 121, 6570-6579 (2017).
- Computational Assignment of the Histidine Protonation State in (6-4) Photolyase Enzyme and Its Effect on the Protonation Step.
H. M. Dokainish, A. Kitao*
ACS. Catal., 6, 5500-5507 (2016).
- Functional Conversion of CPD and (6–4) Photolyases by Mutation.
D. Yamada, H. M. Dokainish, T. Iwata, J. Yamamoto, T. Ishikawa, T. Todo, S. Iwai, E. D. Getzoff, A. Kitao, H. Kandori*
Biochemistry, 55, 4173-4183 (2016).
- Formation of a Stable Iminol Intermediate in the Redox Regulation Mechanism of Protein Tyrosine Phosphatase 1B (PTP1B).
H. M. Dokainish, J. W. Gauld*
ACS. Catal., 5, 2195-2202 (2015).
- Computational investigations on the catalytic mechanism of maleate isomerase: the role of the active site cysteine residues.
H. M. Dokainish, B. F. Ion, J. W. Gauld*
Phys. Chem. Chem. Phys., 16, 12462-12474 (2014).
- A Molecular Dynamics and Quantum Mechanics/Molecular Mechanics Study of the Catalytic Reductase Mechanism of Methionine Sulfoxide Reductase A: Formation and Reduction of a Sulfenic Acid.
H. M. Dokainish, J. W. Gauld*
Biochemistry, 52, 1814-1827 (2013).
- Reply to the “Comment on ‘A Sulfonium Cation Intermediate in the Mechanism of Methionine Sulfoxide Reductase B: A DFT Study’”
J. J. Robinet, H. M. Dokainish, D. J. Paterson, J. W. Gauld*
J. Phys. Chem. B, 115, 10776-10777 (2011).
- A Sulfonium Cation Intermediate in the Mechanism of Methionine Sulfoxide Reductase B: A DFT Study.
J. J. Robinet, H. M. Dokainish, D. J. Paterson, J. W. Gauld*
J. Phys. Chem. B, 115, 9202-9212 (2011).
- Assignment of the 6,6′-Dioxo-3,3′-biverdazyl Ground State by Using Broken Symmetry and Spectroscopy Oriented Configuration Interaction Techniques.
S. M. Mattar*, H. M. Dokainish
J. Phys. Chem. A, 114, 2010-2021 (2010).
Review article
- Multi-Scale Computational Enzymology: Enhancing Our Understanding of Enzymatic Catalysis.
R. Gherib, H. M. Dokainish, J. W. Gauld*
Int. J. Mol. Sci., 15, 401-422 (2014).
