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The accurate prediction of enzyme catalytic sites remains an open problem in bioinformatics. Recently, several structure-based methods have become popular; however, few robust sequence-only methods have been developed. In this report, we demonstrate that three different feed forward neural networks, trained on a variety of sequence-based properties, can(More)
The variability within calculated protein residue pKa values calculated using Poisson-Boltzmann continuum theory with respect to small conformational fluctuations is investigated. As a general rule, sites buried in the protein core have the largest pKa fluctuations but the least amount of conformational variability; conversely, sites on the protein surface(More)
(Publications with a * at the end are either published from IISER Pune or have IISER Pune affiliations mentioned in the paper) Inhibition of SIRT1 by a small molecule induces apoptosis in breast cancer cells. shock protein 90 as a drug target against protozoan infections: Biochemical characterization of Hsp90 from Plasmodium falciparum, Trypanosoma evansi(More)
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