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Dubey, Kshatresh Dutta
102  results:
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1

Building an ab initio solvated DNA model using Euclidean ne..:

Lee, Alex J. ; Rackers, Joshua A. ; Pathak, Shivesh..
PLOS ONE.  19 (2024)  2 - p. e0297502 , 2024
Link: https://doi.org/10.1371/..
 
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2

Amyloidogenic Propensity of Metabolites in the Uric Acid Pa..:

Patel, Monisha ; Jaiswal, Ankita ; Naseer, Anam...
ACS Chemical Neuroscience.  15 (2024)  5 - p. 916-931 , 2024
Link: https://doi.org/10.1021/..
 
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3

On the engineering of reductase-based-monooxygenase activit..:

Yadav, Shalini ; Shaik, Sason ; Dubey, Kshatresh Dutta
Chemical Science.  15 (2024)  14 - p. 5174-5186 , 2024
Link: https://doi.org/10.1039/..
 
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4

Molecular basis of the reaction mechanism of the methyltran..:

Kaldis, Philipp ; Zhao, Li Na ; Dubey, Kshatresh Dutta
PLOS ONE.  19 (2024)  1 - p. e0293243 , 2024
Link: https://doi.org/10.1371/..
 
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5

Editorial: Computational aspects of biomolecular recognitio..:

Srivastava, Ambrish Kumar ; Karnati, Konda Reddy ; Dubey, Kshatresh Dutta
Frontiers in Chemistry.  12 (2024)  - p. , 2024
Link: https://doi.org/10.3389/..
 
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6

An engineered thermally tolerant apo-cytochrome scaffold fo..:

Ben Aoun, Sami ; Ibrahim, Sheikh Muhammad ; Dubey, Kshatresh Dutta
PLOS ONE.  18 (2023)  11 - p. e0293972 , 2023
Link: https://doi.org/10.1371/..
 
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7

Computational insights on the hydride and proton transfer m..:

Yildiz, Ibrahim ; Dubey, Kshatresh Dutta
PLOS ONE.  18 (2023)  11 - p. e0290901 , 2023
Link: https://doi.org/10.1371/..
 
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8

Electro-Freezing of Supercooled Water Is Induced by Hydrate..:

Fuhrman Javitt, Leah ; Kalita, Surajit ; Dubey, Kshatresh Dutta...
Journal of the American Chemical Society.  145 (2023)  34 - p. 18904-18911 , 2023
Link: https://doi.org/10.1021/..
 
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9

Tyr 118-Mediated Electron Transfer is Key to the Chlorite D..:

Kardam, Vandana ; Dubey, Kshatresh Dutta
Inorganic Chemistry.  62 (2023)  44 - p. 18322-18330 , 2023
Link: https://doi.org/10.1021/..
 
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10

A porphyrin-based molecular cage guided by designed local-e..:

Siddiqui, Shakir Ali ; Shaik, Sason ; Kalita, Surajit.
Chemical Science.  14 (2023)  37 - p. 10329-10339 , 2023
Link: https://doi.org/10.1039/..
 
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11

Decarboxylation and Protonation Enigma in the H85Q Mutant o..:

Yadav, Shalini ; Shaik, Sason ; Dubey, Kshatresh Dutta
The Journal of Physical Chemistry B.  127 (2023)  13 - p. 2927-2933 , 2023
Link: https://doi.org/10.1021/..
 
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12

Development of indolealkylamine derivatives as potential mu..:

Chauhan, Jyoti ; Cecon, Erika ; Labani, Nedjma...
European Journal of Medicinal Chemistry.  249 (2023)  - p. 115152 , 2023
Link: https://doi.org/10.1016/..
 
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13

Substrate Conformation Regulates Aromatic C–H Vs C–F Bond A..:

Singh, Warispreet ; Santos, Sonia F. G. ; Yadav, Shalini..
Biochemistry.  62 (2023)  10 - p. 1577-1587 , 2023
Link: https://doi.org/10.1021/..
 
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14

Unraveling topoisomerase IA gate dynamics in presence of PP..:

Maurya, Vikas ; Singh, Raja ; Singh, Reman Kumar...
Communications Biology.  6 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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15

How Can Static and Oscillating Electric Fields Serve in Dec..:

Kalita, Surajit ; Bergman, Hagai ; Dubey, Kshatresh Dutta.
Journal of the American Chemical Society.  145 (2023)  6 - p. 3543-3553 , 2023
Link: https://doi.org/10.1021/..
 
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