Sruthi Sundaresan

The paper mathematically devises 156 unique quadruplex motifs and develops a tool to model their energy-minimized structures, revealing greater structural complexity than previously known.

MDTAP automates the analysis of permeation events across membrane proteins and nucleic acids from MD trajectories, providing visualization and insights into solute/solvent transport mechanisms.

The paper analyzes 392 experimentally determined DNA quadruplex structures to identify 48 unique motifs, which can be classified into continuous and discontinuous types, aiding in quadruplex engineering and drug design.