More Publication of Surajit Kalita
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More Publication of Surajit Kalita
Shaik, S.; Danovich, D.; Kalita, S.; Dubey, K. D., Oriented Electric Fields─Universal Catalysts, Acc. Chem. Res., 58 (3071–3080), 2025, 19.9, Click Here (DOI)
Kalita, S.; Danovich, D. Shaik, S.*, Local Electric Fields Originate Unusual Kinetic Isotope Effects in the Hydrogen Abstraction Reactions of the Functionally-Analogous P450 and TauD Enzymes, J. Am. Chem. Soc., 147 (35576–35586), 2025, 15.7, Click Here (DOI)
Kalita, S.*; Danovich, D.; Shaik, S.*, Origins of the Superiority of Oscillating Electric Fields for Disrupting Senile Plaques: Insights from the 7-Residue Fragment and Full-length A−42 Peptide., J. Am. Chem. Soc., 147 (3), 2025, 15.6, Click Here (DOI)
Yadav, S.#; Kalita, S#*; Dubey, K. D.* (# Equal Contribution), Mechanism of a Novel Metal-Free Carbonic Anhydrase, Phys. Chem. Chem. Phys., 26, 2024, 3.6, Click Here (DOI)
Siddiqui, S. A.; Shaik, S.; Kalita, S.; Dubey, K. D., A Porphyrin-Based Molecular Cage Guided by Designed Local-Electric Field is Highly Selective and Efficient., Chem. Sci., 14, 2023, 7.4, Click Here (DOI)
Kalita, S.; Bergman, H.; Dubey, K. D.; Shaik, S., How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer’s and Other Senile Plaques?, J. Am. Chem. Soc., 145 (6), 2023, 15.6, Click Here (DOI)
Javitt, L. F.#; Kalita, S.#; Dubey, K. D.; Ehre, D.; Shaik, S.; Lahav, M. (# Equal Contribution), Electro-freezing of Supercooled Water is Induced by Hydrated Al3+ and Mg2+ Ions: Experimental and Theoretical Studies., J. Am. Chem. Soc., 145 (34), 2023, 15.6, Click Here (DOI)
Kardam, V.; Kalita, S.; Dubey, K. D., Computations Reveal a Crucial Role of an Aromatic Dyad in the Catalytic Function of Plant Cytochrome P450 Mint Superfamily., J. Inorg. Biochem., 237, 2022, 3.2, Click Here (DOI)
Yadav, S.; Shaik, S.; Siddiqui, S. A.; Kalita, S.; Dubey. K. D., Local Electric Fields Dictate Function: The Different Product Selectivity Observed for Fatty Acids Oxidation by Two Deceptively Very Similar P450-Peroxygenase OleT and BSbeta., J. Chem. Inf. Model., 62 (4), 2022, 5.3, Click Here (DOI)
Kalita, S.; Shaik, S.; Dubey, K. D., Mechanistic Conundrum of C–C Cleavage by CYP51., ACS Catal., 12 (9), 2022, 13.1, Click Here (DOI)
Kalita, S.; Shaik, S.; Dubey, K. D., MD Simulations and QM/MM Calculations Reveal the Key Mechanistic Elements Which are Responsible for the Efficient C-H Amination Reaction Performed by a Bioengineered P450 Enzyme., Chem. Sci., 12, 2021, 7.4, Click Here (DOI)
Dubey, K. D.; Stuyver, T.; Kalita, S.; Shaik, S., Solvent Organization and Rate Regulation of a Menshutkin Reaction by Oriented External Electric Fields are Revealed by Combined MD and QM/MM Calculations., J. Am. Chem. Soc., 142 (22), 2020, 15.6, Click Here (DOI)
Kalita, S.; Shaik, S.; Kisan, H. K.; Dubey, K. D., A Paradigm Shift in the Catalytic Cycle of P450: The Preparatory Choreography during O2 Binding and Origins of the Necessity for Two Protonation Pathways., ACS Catal., 10 (19), 2020, 13.1, Click Here (DOI)
Dutta, R.; Kalita, S.; Kalita, D. J., Tuning of Some Novel Triphenylamine-Based Organic Dyes for Their Potential Application in Dye-Sensitized Solar Cells: A Theoretical Study., Comput. Theor. Chem., 1142, 2018, 2.8, Click Here (DOI)
