I am interested in applying computational methods to study biological problems. My projects revolve around using molecular dynamics simulations to characterize structure and dynamics of self-cleaving ribozymes including glmS, hammerhead and hairpin. I especially enjoy investigating the origin of mutational effects as well as understanding the role that divalent metal ions play in these catalytic reactions. More recently, I have been working on developing an improved Mg2+ ion model for nucleic acid simulations that yields correct structural, thermodynamic, kinetic and transport properties.
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