Now showing items 1-3 of 3

    • Molecular computations for reactions and phase transitions: applications to protein stabilization, hydrates and catalysis 

      Anderson, Brian J.; Baynes, Brian M.; Lo, Cynthia S.; Chu, Jhih-Wei; Pan, Bin; e.a. (2005-01)
      In this work we have made significant contributions in three different areas of interest: therapeutic protein stabilization, thermodynamics of natural gas clathrate-hydrates, and zeolite catalysis. In all three fields, ...
    • Proteins in Mixed Solvents: A Molecular-level Perspective 

      Baynes, Brian M.; Wang, Daniel I.C.; Trout, Bernhardt L. (2004-01)
      We present a statistical mechanical approach for quantifying thermodynamic properties of proteins in mixed solvents. This approach, based on molecular dynamics simulations which incorporate all atom models and the theory ...
    • Stabilization of Proteins against Aggregation 

      Baynes, Brian M.; Wang, Daniel I.C.; Trout, Bernhardt L. (2004-01)
      Proteins degrade in vitro by a variety of routes, the most common of which is aggregation. In order to develop protein formulations that will limit aggregation, researchers use heuristic, experimental screening procedures. ...