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PhD student
University of Kansas

Shipra Malhotra is third year PhD student at Center of Computational Biology at University of Kansas. Her research will address key questions related to Inhibition of Protein-Protein Interaction through modulation by allosteric small molecules. Her research is focussed on establishing allostery as generalized mechanism for modulating protein-protein interactions by locking the protein into its apo conformation and preventing the epitope binding. Implementation of research will put many unexplored protein targets into limelight. Prior to this project she has worked on developing a computational tool that can predict whether a ligand will flip upon med chem optimization. That study helps medicinal chemists to develop an understanding about what factors dictate preservation of a ligand’s bound pose upon med chem optimization and can save to a great extent, dereliction of drug design regime due to decrease in affinity and worse ADME properties after hit optimization.