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ORCIDRajeev Prabhakar
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2020 – today
- 2022
[j9]Leonardo F. Serafim, Vindi M. Jayasinghe-Arachchige, Lukun Wang, Rajeev Prabhakar
:
Promiscuous Catalytic Activity of a Binuclear Metallohydrolase: Peptide and Phosphoester Hydrolyses. J. Chem. Inf. Model. 62(10): 2466-2480 (2022)- 2021
- [j8]Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar:
Degradation of a Main Plastic Pollutant Polyethylene Terephthalate by Two Distinct Proteases (Neprilysin and Cutinase-like Enzyme). J. Chem. Inf. Model. 61(2): 764-776 (2021)
2010 – 2019
- 2019
- [j7]Vindi M. Jayasinghe-Arachchige, Qiaoyu Hu, Gaurav Sharma, Thomas J. Paul, Marcus Lundberg, David Quiñonero, Tatjana N. Parac-Vogt, Rajeev Prabhakar:
Hydrolysis of chemically distinct sites of human serum albumin by polyoxometalate: A hybrid QM/MM (ONIOM) study. J. Comput. Chem. 40(1): 51-61 (2019) - 2017
- [j6]Tingting Zhang, Gaurav Sharma, Thomas J. Paul, Zachary Hoffmann, Rajeev Prabhakar:
Effects of Ligand Environment in Zr(IV) Assisted Peptide Hydrolysis. J. Chem. Inf. Model. 57(5): 1079-1088 (2017) - 2012
- [j5]Arghya Barman, Rajeev Prabhakar:
Protonation States of the Catalytic Dyad of β-Secretase (BACE1) in the Presence of Chemically Diverse Inhibitors: A Molecular Docking Study. J. Chem. Inf. Model. 52(5): 1275-1287 (2012)
2000 – 2009
- 2009
- [j4]Arghya Barman, Woody Taves, Rajeev Prabhakar:
Insights into the mechanism of methionine oxidation catalyzed by metal (Cu2+, Zn2+, and Fe3+) - Amyloid beta (Abeta) peptide complexes: A computational study. J. Comput. Chem. 30(9): 1405-1413 (2009) - 2006
- [j3]Rajeev Prabhakar, Keiji Morokuma, Djamaladdin G. Musaev:
A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): Role of the active site cysteine-6 residue in the oxidative half-reaction. J. Comput. Chem. 27(12): 1438-1445 (2006) - 2005
- [j2]Rajeev Prabhakar, Keiji Morokuma, Djamaladdin G. Musaev:
A comparative study of various computational approaches in calculating the structure of pyridoxal 5r-phosphate (PLP)-dependent beta-lyase protein. The importance of protein environment. J. Comput. Chem. 26(5): 443-446 (2005) - 2003
- [j1]Rajeev Prabhakar, Per E. M. Siegbahn:
A comparison of the mechanism for the reductive half-reaction between pea seedling and other copper amine oxidases (CAOs). J. Comput. Chem. 24(13): 1599-1609 (2003)
Coauthor Index
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