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Debodyuti Dutta - Publications

Affiliations: 
2012-2017 Department of Chemistry Indian Institute of Technology Kharagpur, Kharagpur, West Bengal, India 
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8 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Dutta D, Mishra S. L-Captopril and its derivatives as potential inhibitors of microbial enzyme DapE: A combined approach of drug repurposing and similarity screening. Journal of Molecular Graphics & Modelling. 84: 82-89. PMID 29936366 DOI: 10.1016/J.Jmgm.2018.06.004  0.614
2017 Dutta D, Mishra S. Active Site Dynamics in the Substrate Hydrolysis Catalyzed by DapE Enzyme and Its Mutants from Hybrid QM/MM Molecular Dynamics Simulation. The Journal of Physical Chemistry. B. PMID 28664734 DOI: 10.1021/Acs.Jpcb.7B04431  0.638
2016 Dutta D, Mishra S. Loss of Catalytic Activity in the E134D, H67A, and H349A Mutants of DapE: Mechanistic Analysis with QM/MM Investigation. The Journal of Physical Chemistry. B. PMID 27783518 DOI: 10.1021/Acs.Jpcb.6B07446  0.648
2016 Tah B, Dutta D, Pal P, Talapatra GB, Mishra S. QM/MM simulation of the amide-I band in the Raman spectrum of insulin Molecular Physics. 1-13. DOI: 10.1080/00268976.2016.1170220  0.597
2015 Dutta D, Mishra S. Structural and mechanistic insight into substrate binding from the conformational dynamics in apo and substrate-bound DapE enzyme. Physical Chemistry Chemical Physics : Pccp. PMID 26674000 DOI: 10.1039/C5Cp06024A  0.625
2014 Dutta D, Mishra S. The structural and energetic aspects of substrate binding and the mechanism of action of the DapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) investigated using a hybrid QM/MM method. Physical Chemistry Chemical Physics : Pccp. 16: 26348-58. PMID 25367594 DOI: 10.1039/C4Cp03986F  0.65
2014 Tah B, Pal P, Roy S, Dutta D, Mishra S, Ghosh M, Talapatra GB. Quantum-mechanical DFT calculation supported Raman spectroscopic study of some amino acids in bovine insulin. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 129: 345-51. PMID 24747859 DOI: 10.1016/J.Saa.2014.03.044  0.592
2014 Kumar S, Mani G, Dutta D, Mishra S. Structural diversity of copper(I) complexes formed by pyrrole- and dipyrrolylmethane-based diphosphine ligands with cu-X···HN hydrogen bonds. Inorganic Chemistry. 53: 700-9. PMID 24392950 DOI: 10.1021/Ic402253Y  0.558
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