The BEM system uses the innovative Overhauser elements to eliminate discontinuities of slope on the water surface. To model the water wave as it moves through time, the BEM method is used to solve for the potential gradients on the wave surface. Researchers in the Chemistry Department are developing and applying computational techniques to a variety of problems in physical, organic, and biophysical chemistry. Some of the techniques being used to study problems in these fields are quantum chemistry, molecular mechanics, molecular dynamics, Monte Carlo, Poisson-Boltzmann electrostatics, crystal morphology, and Brownian dynamics. Of particular interest is understanding the interactions between sulfonamides and human carbonic anhydrase.
Untreated glaucoma can eventually lead to blindness.
Another area of interest is the study of the adsorption-inhibition mechanism of antifreeze peptides in contact with ice. Figure 6 summarizes the results of calculations. In this view, each peptide is represented as a helical backbone with the leucine, threonine, and asparagine side chains drawn explicitly. A new and exciting area of research is the application of density functional methods to predict and understand organometallic chemistry. Prediction of molecular properties for pteridine and folate substrates is another area of interest.