Now showing items 1-10 of 10

    • Characterizing protein crystal contacts and their role in crystallization: rubredoxin as a case study. 

      Charbonneau, Patrick; De Simone, A; Fusco, Diana; Headd, JJ; Wang, J (Soft Matter, 2014-01-14)
      The fields of structural biology and soft matter have independently sought out fundamental principles to rationalize protein crystallization. Yet the conceptual differences and the limited overlap between the two disciplines ...
    • Complex k band diagrams of 3D metamaterial/photonic crystals. 

      Fietz, C; Shvets, G; Urzhumov, Yaroslav A (Opt Express, 2011-09-26)
      A finite element method (FEM) for solving a complex valued k(ω) vs. ω dispersion curve of a 3D metamaterial/photonic crystal system is presented. This 3D method is a generalization of a previously reported 2D eigenvalue ...
    • Computational crystallization. 

      Altan, I; Charbonneau, Patrick; Snell, EH (Arch Biochem Biophys, 2016-07-15)
      Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process ...
    • Computational Methods for RNA Structure Validation and Improvement. 

      Jain, S; Richardson, DC; Richardson, JS (Methods Enzymol, 2015)
      With increasing recognition of the roles RNA molecules and RNA/protein complexes play in an unexpected variety of biological processes, understanding of RNA structure-function relationships is of high current importance. ...
    • Crystallization of asymmetric patchy models for globular proteins in solution. 

      Charbonneau, Patrick; Fusco, Diana (Phys Rev E Stat Nonlin Soft Matter Phys, 2013-07)
      Asymmetric patchy particle models have recently been shown to describe the crystallization of small globular proteins with near-quantitative accuracy. Here, we investigate how asymmetry in patch geometry and bond energy ...
    • Drug design from the cryptic inhibitor envelope. 

      Gopalaswamy, R; Lee, CJ; Lemaître, N; Liang, X; Najeeb, Javaria; Sebbane, F; Titecat, M; ... (11 authors) (Nat Commun, 2016-02-25)
      Conformational dynamics plays an important role in enzyme catalysis, allosteric regulation of protein functions and assembly of macromolecular complexes. Despite these well-established roles, such information has yet to ...
    • Hard-sphere crystallization gets rarer with increasing dimension. 

      Charbonneau, Benoit; Charbonneau, Patrick; Fortini, A; van Meel, JA (Phys Rev E Stat Nonlin Soft Matter Phys, 2009-12)
      We recently found that crystallization of monodisperse hard spheres from the bulk fluid faces a much higher free-energy barrier in four than in three dimensions at equivalent supersaturation, due to the increased geometrical ...
    • Highly parallel acoustic assembly of microparticles into well-ordered colloidal crystallites. 

      Owens, CE; Shields, CW; Cruz, DF; Charbonneau, Patrick; López, GP (Soft Matter, 2016-01-21)
      The precise arrangement of microscopic objects is critical to the development of functional materials and ornately patterned surfaces. Here, we present an acoustics-based method for the rapid arrangement of microscopic particles ...
    • Purification, crystallization and preliminary X-ray diffraction studies of a complex between G protein-coupled receptor kinase 2 and Gbeta1gamma2. 

      Barnhill, JF; Capel, WD; Lefkowitz, Robert J; Lodowski, DT; Pitcher, JA; Tesmer, JJG (Acta Crystallogr D Biol Crystallogr, 2003-05)
      G protein-coupled receptor kinase 2 (GRK2) phosphorylates activated G protein-coupled receptors (GPCRs), which ultimately leads to their desensitization and/or downregulation. The enzyme is recruited to the plasma membrane ...
    • Soft matter perspective on protein crystal assembly. 

      Charbonneau, Patrick; Fusco, Diana (Colloids Surf B Biointerfaces, 2016-01-01)
      Crystallography may be the gold standard of protein structure determination, but obtaining the necessary high-quality crystals is also in some ways akin to prospecting for the precious metal. The tools and models developed ...