• Atomic scale insights into urea–peptide interactions in solution 

      Steinke, Nicola; Gillams, Richard J.; Pardo Soto, Luis Carlos; Lorenz, Christian D.; McLain, Sylvia E. (2016-02-07)
      Article
      Accés obert
      The mechanism by which proteins are denatured by urea is still not well understood, especially on the atomic scale where these interactions occur in vivo. In this study, the structure of the peptide GPG has been investigated ...
    • On the microscopic origin of the cryoprotective effect in lysine solutions 

      Henao, Andrés; Ruiz Tabbia, Guadalupe Natalia; Steinke, Nicola; Cerveny Murcia, Silvina; Macovez, Roberto; Busch, Sebastian; McLain, Sylvia E.; Lorenz, Christian D.; Pardo Soto, Luis Carlos (2020-04-07)
      Article
      Accés obert
      The amino acid lysine has been shown to prevent water crystallization at low temperatures in saturated aqueous solutions [S. Cerveny and J. Swenson, Phys. Chem. Chem. Phys., 2014, 16, 22382–22390]. Here, we investigate two ...
    • On the structure of water and chloride ion interactions with a peptide backbone in solution 

      Busch, Sebastian; Pardo Soto, Luis Carlos; O'Dell, William B.; Bruce, Chrystal D.; Lorenz, Christian D.; McLain, Sylvia E. (2013-12-28)
      Article
      Accés restringit per política de l'editorial
      The arrangement of water and chloride ions around a model peptide (glycyl-L-prolyl-glycine-NH2) was investigated using Molecular Dynamics (MD) simulations and complementary Empirical Potential Structure Refinement (EPSR) ...
    • Short-range interactions of concentrated proline in aqueous solution 

      Busch, Sebastian; Lorenz, Christian D.; Taylor, Jonathan; Pardo Soto, Luis Carlos; McLain, Sylvia E. (2014-12-11)
      Article
      Accés restringit per política de l'editorial
      Molecular interactions for proline in a highly concentrated aqueous solution (up to 1:5 proline:water molecular ratio) have been investigated using a variety of experimental and computational techniques. Rather than the ...
    • Specific effects of monovalent counterions on the structural and interfacial properties of dodecyl sulfate monolayers 

      Allen, Daniel T.; Saaka, Yussif; Pardo Soto, Luis Carlos; Lawrence, M. Jayne; Lorenz, Christian D. (2016-10-19)
      Article
      Accés obert
      A series of molecular dynamics simulations have been conducted in order to study the specific ion effects of Li+, Na+, Cs+ and NH4+ cations on dodecyl sulfate (DS-) monolayers. Varying the counterion had no appreciable ...