Evaluating the active site-substrate interplay between x-ray crystal structure and molecular dynamics in chorismate mutase
Article in The Journal of Chemical Physics (February 2023)
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Quantifying Inter-Residue Contacts through Interaction Energies
Article in Journal of Chemical Information and Modeling (November 2019)
Network analysis of dynamically important residues in protein structures mediating ligand-binding conformational changes
Article in European Biophysics Journal (July 2019)