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Integrated computational/solution state explanations of supramolecular interactions

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h

H-bond catalysis and counterion effects on selectivity and reactivity

In silico study of peptide-protein interactions and peptide design

Computationally-aided investigation of peptide-protein interactions and 
in silico drug design. DOI: 10.1002/pep2.24058 COVER PICTURE!

Mechanistic study of organometallics and Organic reactions

Computational modelling of material-based compounds: Battery materials and two-dimensional (2D) materials

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