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Publications
“Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes.”, Proteins, vol. 84, no. 7, pp. 875-91, 2016.
, “Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions.”, J Mol Graph Model, vol. 51, pp. 173-83, 2014.
, “Theoretical study on HF elimination and aromatization mechanisms: a case of pyridoxal 5' phosphate-dependent enzyme.”, J Org Chem, vol. 77, no. 13, pp. 5533-43, 2012.
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