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Biochemistry, Biophysics, and Structural Biology Commons

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Full-Text Articles in Biochemistry, Biophysics, and Structural Biology

Ab Initio Study Of Molecular Interactions In Cellulose Iα, Ajitha Devarajan, Sergiy Markutsya, Monica H. Lamm, Xiaolin Cheng, Jeremy C. Smith, John Ysrael Baluyut, Yana Kholod, Mark S. Gordon, Theresa Lynn Windus Jan 2013

Ab Initio Study Of Molecular Interactions In Cellulose Iα, Ajitha Devarajan, Sergiy Markutsya, Monica H. Lamm, Xiaolin Cheng, Jeremy C. Smith, John Ysrael Baluyut, Yana Kholod, Mark S. Gordon, Theresa Lynn Windus

Chemical and Biological Engineering Publications

Biomass recalcitrance, the resistance of cellulosic biomass to degradation, is due in part to the stability of the hydrogen bond network and stacking forces between the polysaccharide chains in cellulose microfibers. The fragment molecular orbital (FMO) method at the correlated Møller-Plesset second order perturbation level of theory was used on a model of the crystalline cellulose Iα core with a total of 144 glucose units. These computations show that the intersheet chain interactions are stronger than the intrasheet chain interactions for the crystalline structure, while they are more similar to each other for a relaxed structure. An FMO chain ...


Computational And Experimental Analyses Converge To Reveal A Coherent Yet Malleable Aptamer Structure That Controls Chemical Reactivity, Tianjiao Wang, Julie A. Hoy, Monica H. Lamm, Marit Nilsen-Hamilton Jan 2009

Computational And Experimental Analyses Converge To Reveal A Coherent Yet Malleable Aptamer Structure That Controls Chemical Reactivity, Tianjiao Wang, Julie A. Hoy, Monica H. Lamm, Marit Nilsen-Hamilton

Chemical and Biological Engineering Publications

As short nucleic acids, aptamers in solution are believed to be structurally flexible. Consistent with this view, most aptamers examined for this property have been shown to bind their target molecules by mechanisms that can be described as "induced fit". But, it is not known to what extent this structural flexibility affects the integrity of the target - aptamer interaction. Using the malachite green aptamer (MGA) as a model system, we show that the MGA can protect its bound target, malachite green (MG), from oxidation over several days. Protection is reversed by an oligonucleotide complementary to the MGA binding pocket. Computational ...


Cobalt Ferrite Nanocrystals: Out-Performing Magnetotactic Bacteria, Tanya Prozorov, Pierre E. Palo, Lijun Wang, Marit Nilsen-Hamilton, Deanna Jones, Daniel Orr, Surya K. Mallapragada, Balaji Narasimhan, Paul C. Canfield, Ruslan Prozorov Jan 2007

Cobalt Ferrite Nanocrystals: Out-Performing Magnetotactic Bacteria, Tanya Prozorov, Pierre E. Palo, Lijun Wang, Marit Nilsen-Hamilton, Deanna Jones, Daniel Orr, Surya K. Mallapragada, Balaji Narasimhan, Paul C. Canfield, Ruslan Prozorov

Chemical and Biological Engineering Publications

Magnetotactic bacteria produce exquisitely ordered chains of uniform magnetite (Fe3O4) nanocrystals, and the use of the bacterial mms6 protein allows for the shape-selective synthesis of Fe 3O4 nanocrystals. Cobalt ferrite (CoFe2O 4) nanoparticles, on the other hand, are not known to occur in living organisms. Here we report on the use of the recombinant mms6 protein in a templated synthesis of CoFe2O4 nanocrystals in vitro. We have covalently attached the full-length mms6 protein and a synthetic C-terminal domain of mms6 protein to self-assembling polymers in order to template hierarchical CoFe2O4 nanostructures. This new synthesis pathway enables facile room-temperature shape-specific synthesis ...