BIO

I have been fascinated with molecular biology. As I viewed it, it is the rules by which life operates at the smallest level. Now I am studying how these mechanisms work on the atomic level of detail using molecular modeling software such as PyRosetta and CHARMM. I will be taking these skills for my DIS this summer and fall as I will be modeling how proteins in the GT-2 protein family work. These proteins produce structural polysaccharides, like cellulose, in plants animals and even humans. Hopefully my research this summer and fall will test hypotheses about the mechanism of action of this widely important protein family.

Molecular Dynamics Simulations of a Mouse Monoclonal IgG2A Antibody at the Interface of Polar and Nonpolar Solvent

Abstract

Antibodies play an important role in many multicellular eukaryotic immune systems as they are the primary way in which these organisms detect and locate specific pathogens by binding to peptides or surface proteins of pathogens. Due to advancements in expressing and purifying antibodies, it is now possible to treat diseases with antibody therapies. It may be helpful to understand the conformation of antibodies in solvents with different polarity, as it can explain extraction equilibria constants and may aid the engineering of future antibodies to be more amicable to extraction or the interaction of a lipid membrane. This paper uses molecular dynamics simulations of a monoclonal mouse IgG2a class antibody in water and in a water-nonpolar solvent interfacial environment.

Keywords: anitbodies Molecular Dynamics