Sowmya Ramaswamy Krishnan

This paper evaluates blind predictions of dynamic water and ion ensembles around RNA using cryo-EM densities from CASP16, finding that molecular dynamics approaches perform best.

This paper introduces SKiD, a database linking enzyme kinetics parameters with 3D structural data of enzyme-substrate complexes, enhancing understanding of enzymatic function.

This paper introduces LMLF, a method using logical feedback to guide LLMs in generating drug leads for specific targets, showing improved binding affinities and potential novelty.