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Surajit Kalita - Publications

Affiliations: 
Shiv Nadar University 
Area:
Computational Chemistry
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7 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
2023 Siddiqui SA, Shaik S, Kalita S, Dubey KD. A porphyrin-based molecular cage guided by designed local-electric field is highly selective and efficient. Chemical Science. 14: 10329-10339. PMID 37772104 DOI: 10.1039/d3sc01720f  0.666
2023 Fuhrman Javitt L, Kalita S, Dubey KD, Ehre D, Shaik S, Lahav M, Lubomirsky I. Electro-Freezing of Supercooled Water Is Induced by Hydrated Al and Mg Ions: Experimental and Theoretical Studies. Journal of the American Chemical Society. PMID 37602827 DOI: 10.1021/jacs.3c05004  0.591
2023 Kalita S, Bergman H, Dubey KD, Shaik S. How Can Static and Oscillating Electric Fields Serve in Decomposing Alzheimer's and Other Senile Plaques? Journal of the American Chemical Society. PMID 36735972 DOI: 10.1021/jacs.2c12305  0.594
2022 Kardam V, Kalita S, Dubey KD. Computations reveal a crucial role of an aromatic dyad in the catalytic function of plant cytochrome P450 mint superfamily. Journal of Inorganic Biochemistry. 237: 111990. PMID 36115330 DOI: 10.1016/j.jinorgbio.2022.111990  0.569
2022 Yadav S, Shaik S, Siddiqui SA, Kalita S, Dubey KD. Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ. Journal of Chemical Information and Modeling. PMID 35129977 DOI: 10.1021/acs.jcim.1c01453  0.645
2021 Kalita S, Shaik S, Dubey KD. 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. Chemical Science. 12: 14507-14518. PMID 34881002 DOI: 10.1039/d1sc03489h  0.692
2020 Dutta Dubey K, 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. Journal of the American Chemical Society. PMID 32369357 DOI: 10.1021/Jacs.9B13029  0.463
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