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Computational Modeling of DNA Binding Molecules
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... Modeling of DNA Binding Molecules. Heather Hill ... University of North Carolina at Wilmington ... Crystal Structure of DNA with molecule ... – PowerPoint PPT presentation
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Title: Computational Modeling of DNA Binding Molecules
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Computational Modeling of DNA Binding Molecules
- Heather Hill
- Department of Chemistry and Biochemistry
- University of North Carolina at Wilmington
- Wilmington, NC 28403
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- Molecules being constructed in our lab
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- This molecule binds in the groove of DNA
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- Crystal Structure of DNA with molecule
(modified in Titan)
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- DNA with molecule and an attached linker and
- glucose ring (modified in Insight II)
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Methods
- Build/model molecules with two different
targeting molecules and several different linkers - Submit for calculations
- Compare to lab results
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Benefits of Project
- Save time
- Save money
- Identify possible candidates and eliminate those
that do not work
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References
- Zhang, Y., Chen, F.-X., Mehta, P., and Gold, B.
(1993) Biochemistry 32, 7954-7965. - Varadarajan, S., Dharini, S., Dande, P., Settles,
S., Chen, F.-X., Gilberto, F., and Gold, B.
(2003) Biochemistry 42, 14318-14327.
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Acknowledgements
- Dr. Varadarajan
- Dr. Martin
- Dr. Bartolotti ( East Carolina University)
