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pubmed:abstractText |
This work represents an extensive MD simulation / water-dynamics studies on a series of complexes of inhibitors (leupeptin, E-64, E-64-C, ZPACK) and plant cysteine proteases (actinidin, caricain, chymopapain, calotropin DI) of papain family to understand the various interactions, water binding mode, factors influencing it and the structural basis of differential inhibition.
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pubmed:affiliation |
Biophysics Division, Bose Institute, P 1/12, CIT Scheme VIIM, Calcutta, 700054, India. Suparna99@yahoo.com
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