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Browsing by Subject "Amines"

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    • Article  

      Amyloid-like self-assembly of peptide sequences from the adenovirus fiber shaft: Insights from molecular dynamics simulations 

      Tamamis, Phanourios; Kasotakis, E.; Mitraki, A.; Archontis, Georgios Z. (2009)
      The self-assembly of peptides and proteins into nanostructures is related to the fundamental problems of protein folding and misfolding and has potential applications in medicine, materials science and nanotechnology. ...

    • Article  

      CHARMM: The biomolecular simulation program 

      Brooks, B. R.; Brooks III, C. L.; Mackerell Jr., A. D.; Nilsson, L.; Petrella, R. J.; Roux, B.; Won, Y.; Archontis, Georgios Z.; Bartels, C.; Boresch, S.; Caflisch, A.; Caves, L.; Cui, Q.; Dinner, A. R.; Feig, M.; Fischer, S.; Gao, J.; Hodoscek, M.; Im, W.; Kuczera, K.; Lazaridis, T.; Ma, J.; Ovchinnikov, V.; Paci, E.; Pastor, R. W.; Post, C. B.; Pu, J. Z.; Schaefer, M.; Tidor, B.; Venable, R. M.; Woodcock, H. L.; Wu, X.; Yang, W.; York, D. M.; Karplus, M. (2009)
      CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, ...

    • Article  

      Chemistry of 4-dicyanomethylene-1,2,6-thiadiazines 

      Koutentis, Panayiotis Andreas; Rees, C. W. (2000)
      The chlorine atoms in 3,5-dichloro-4-dicyanomethylene-1,2,6-thiadiazine 1 are readily displaced by thiophenols in the presence of Hünig's base, the first at -78 °C and the second at 20 °C to give the orange mono- and ...

    • Article  

      Photochemistry of an azido-functionalized cryptand: Controlling the reactivity of an extremely long-lived singlet aryl nitrene by complexation to alkali cations 

      Bucher, G.; Tönshoff, C.; Nicolaïdes, Andrew N. (2005)
      Photolysis of the cryptand 1, bearing an intraannular azido substituent, results in a complex photochemistry. Low-temperature photolysis yields the triplet nitrene 32, which has been characterized by EPR spectroscopy. Small ...

    • Article  

      Reinvestigating the reaction of 1H-pyrazol-5-amines with 4,5-dichloro-1,2,3-dithiazolium chloride: A route to pyrazolo[3,4-c]isothiazoles and pyrazolo[3,4-d]thiazoles 

      Koyioni, Maria G.; Manoli, Maria; Manolis, M. J.; Koutentis, Panayiotis Andreas (2014)
      The reaction of Appel salt 1 with 1H-pyrazol-5-amines 2 gives main products N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-1H-pyrazol-5-amines 3, and 6H-pyrazolo[3,4-c]isothiazole-3-carbonitriles 5, together with several minor ...

    • Article  

      Synthesis and characterization of star polymers and cross-linked star polymer model networks with cores based on an asymmetric, hydrolyzable dimethacrylate cross-linker 

      Kafouris, Demetris; Themistou, Efrosyni; Patrickios, Costas S. (2006)
      A hydrolyzable dimethacrylate cross-linker, 2-methyl-2,4-pentanediol dimethacrylate (MPDMA), was synhesized by the reaction of 2-methyl-2,4-pentanediol and methacryloyl chloride in the presence of triethylamine. This ...

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