Dutta Dubey K - Search Results

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Esterase Specific Fluorescent Probe: Mechanistic Understanding Using QM/MM Calculation and Cell States Discrimination.

Yadav R, Munan S, Kardam V, Dutta Dubey K, Samanta A. Yadav R, et al. Among authors: dutta dubey k. Chemistry. 2023 Jun 7;29(32):e202300244. doi: 10.1002/chem.202300244. Epub 2023 Apr 27. Chemistry. 2023. PMID: 37014630

Combined MD and QM/MM Calculations Reveal Allostery-Driven Promiscuity in Dipeptide Epimerases of Enolase Family.

Tripathi A, Dutta Dubey K. Tripathi A, et al. Among authors: dutta dubey k. Chem Asian J. 2022 Aug 15;17(16):e202200528. doi: 10.1002/asia.202200528. Epub 2022 Jul 6. Chem Asian J. 2022. PMID: 35722826

Capturing a Pentacyclic Fragment-Based Library Derived from Perophoramidine: Their Design, Synthesis and Evaluation as Anticancer Compounds by DNA Double-Strand Breaks (DSB) and PARP-1 Inhibition.

Guha S, Yussif El-Deeb I, Yadav S, Das R, Dutta Dubey K, Baruah M, Gremaud L, Sen S. Guha S, et al. Among authors: dutta dubey k. Chemistry. 2022 Nov 11;28(63):e202202405. doi: 10.1002/chem.202202405. Epub 2022 Sep 7. Chemistry. 2022. PMID: 35952312

Solvent Organization and Rate Regulation of a Menshutkin Reaction by Oriented External Electric Fields are Revealed by Combined MD and QM/MM Calculations.

Dutta Dubey K, Stuyver T, Kalita S, Shaik S. Dutta Dubey K, et al. J Am Chem Soc. 2020 Jun 3;142(22):9955-9965. doi: 10.1021/jacs.9b13029. Epub 2020 May 19. J Am Chem Soc. 2020. PMID: 32369357 Free PMC article.

Structural assessment of OsNIP2;1 highlighted critical residues defining solute specificity and functionality of NIP class aquaporins.

Sharma Y, Thakral V, Raturi G, Dutta Dubey K, Sonah H, Pareek A, Sharma TR, Deshmukh R. Sharma Y, et al. Among authors: dutta dubey k. J Adv Res. 2024 Apr;58:1-11. doi: 10.1016/j.jare.2023.04.020. Epub 2023 May 8. J Adv Res. 2024. PMID: 37164213 Free PMC article.

Amyloid-like Aggregation Propensities of Metabolites- Homogentisic Acid, N-Acetyl Aspartic Acid and Isovaleric Acid.

Dave R, Jaiswal A, Naseer A, Tripathi A, Patel M, Revi N, Rengan AK, Dutta Dubey K, Nazir A, Verma S, Gour N. Dave R, et al. Among authors: dutta dubey k. Chembiochem. 2024 Dec 2;25(23):e202400109. doi: 10.1002/cbic.202400109. Epub 2024 Nov 4. Chembiochem. 2024. PMID: 39312502

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