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List of works by Gaurao V. Dhoke

Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment

scientific article published in November 2015

Deletion and Randomization of Structurally Variable Regions in B. subtilis Lipase A (BSLA) Alter Its Stability and Hydrolytic Performance Against Long Chain Fatty Acid Esters

scientific article published on 14 March 2020

Identification of dual Acetyl-CoA carboxylases 1 and 2 inhibitors by pharmacophore based virtual screening and molecular docking approach.

scientific article published on 19 January 2013

Identification of p38α MAP kinase inhibitors by pharmacophore based virtual screening.

scientific article

Inversion of cpADH5 Enantiopreference and Altered Chain Length Specificity for Methyl 3-Hydroxyalkanoates

scientific article published on 20 July 2017

Investigation of Structural Determinants for the Substrate Specificity in the Zinc-Dependent Alcohol Dehydrogenase CPCR2 from Candida parapsilosis

scientific article published on 10 June 2015

Mechanistic and structural insight into promiscuity based metabolism of cardiac drug digoxin by gut microbial enzyme.

scientific article published on 23 December 2017

Structure based virtual screening to identify selective phosphodiesterase 4B inhibitors.

scientific article published on 22 January 2015

What's My Substrate? Computational Function Assignment of Candida parapsilosis ADH5 by Genome Database Search, Virtual Screening, and QM/MM Calculations.

scientific article published on 7 July 2016

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