Samy Meroueh - PowerPoint PPT Presentation
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Title:
Samy Meroueh
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Assistant Professor of Biochemistry and Molecular Biology, IU School of Medicine ... Isothermal titration calorimetry and surface plasmon resonance. X-ray diffraction ... – PowerPoint PPT presentation
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Title: Samy Meroueh
1
Samy Meroueh
- BS Chemistry/Math Wayne State University (1995)
- Ph.D. Computational Chemistry Wayne State
University ( 2001) - Postdoc Biochemistry and Structural Biology
University of Notre Dame (2006) - Assistant Professor of Biochemistry and Molecular
Biology, IU School of Medicine (2006-present)
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Research Interests Biophysics and Structural
Biology
- Prediction of entropy change for accurate free
energy calculations in receptor-ligand binding - Structure-based inhibitor design and
computational high-throughput screening - Experimental and computational characterization
of thermodynamics, kinetics, and structural basis
of receptor-ligand interactions
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Methods Used
- Computational methods
- Molecular docking and scoring
- Molecular dynamics simulations
- Quantum mechanics/molecular mechanics (QM/MM)
- Free energy calculations
- Experimental methods
- Standard biochemical techniques
- Isothermal titration calorimetry and surface
plasmon resonance - X-ray diffraction
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Two Findings and References
- Resistance to a commonly used antibiotic
(clavulanic acid) as a result of a mutation
distal from the active site is due to differences
in protein motion - Meroueh, S. O. Roblin, P. Golemi, D.
Maveyraud, L. Vakulenko, S. B. Zhang, Y.
Samama, J. P. Mobashery, S., Molecular Dynamics
at the Root of Expansion of Function in the M69L
Inhibitor-Resistant TEM Beta-Lactamase from
Escherichia coli. J. Am. Chem. Soc. 2002, 124,
(32), 9422-9430 - Elucidation of the three-dimensional structure of
the bacterial cell wall peptidoglycan by NMR and
prediction of the tertiary structure of the
bacterial cell wall - Meroueh, S. O. Bencze, K. Z. Hesek, D.
Lee, M. Fisher, J. F. Stemmler, T. L.
Mobashery, S., Three-Dimensional Structure of the
Bacterial Cell Wall Peptidoglycan. Proc. Natl.
Acad. Sci. USA 2006, 103, (12), 4404-4409
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