| Parameter calibration of transition-metal elements for the spin-polarized self-consistent-charge density-functional tight-binding (DFTB) method: Sc, Ti, Fe, Co, and Ni G Zheng, HA Witek, P Bobadova-Parvanova, S Irle, DG Musaev, ... Journal of chemical theory and computation 3 (4), 1349-1367, 2007 | 257 | 2007 |
| Elucidation of the mechanism of selenoprotein glutathione peroxidase (GPx)-catalyzed hydrogen peroxide reduction by two glutathione molecules: a density functional study R Prabhakar, T Vreven, K Morokuma, DG Musaev Biochemistry 44 (35), 11864-11871, 2005 | 142 | 2005 |
| CD11b activation suppresses TLR-dependent inflammation and autoimmunity in systemic lupus erythematosus MH Faridi, SQ Khan, W Zhao, HW Lee, MM Altintas, K Zhang, V Kumar, ... The Journal of clinical investigation 127 (4), 1271-1283, 2017 | 113 | 2017 |
| Activation of triplet dioxygen by glucose oxidase: spin− orbit coupling in the superoxide Ion R Prabhakar, PEM Siegbahn, BF Minaev, H Ågren The Journal of Physical Chemistry B 106 (14), 3742-3750, 2002 | 106 | 2002 |
| Disulfide bridges remain intact while native insulin converts into amyloid fibrils D Kurouski, J Washington, M Ozbil, R Prabhakar, A Shekhtman, ... PloS one 7 (6), e36989, 2012 | 98 | 2012 |
| Cotinine reduces amyloid-β aggregation and improves memory in Alzheimer's disease mice V Echeverria, R Zeitlin, S Burgess, S Patel, A Barman, G Thakur, ... Journal of Alzheimer's disease 24 (4), 817-835, 2011 | 98 | 2011 |
| Unraveling the photoluminescence response of light-switching ruthenium (II) complexes bound to amyloid-β NP Cook, M Ozbil, C Katsampes, R Prabhakar, AA Martí Journal of the American Chemical Society 135 (29), 10810-10816, 2013 | 97 | 2013 |
| Comparative molecular dynamics studies of wild-type and oxidized forms of full-length Alzheimer amyloid β-peptides Aβ (1− 40) and Aβ (1− 42) L Triguero, R Singh, R Prabhakar The Journal of Physical Chemistry B 112 (23), 7123-7131, 2008 | 81 | 2008 |
| A theoretical study of the dioxygen activation by glucose oxidase and copper amine oxidase R Prabhakar, PEM Siegbahn, BF Minaev Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1647 (1-2), 173-178, 2003 | 78 | 2003 |
| Insights into the Mechanism of Selective Olefin Epoxidation Catalyzed by [γ-(SiO4)W10O32H4]4-. A Computational Study R Prabhakar, K Morokuma, CL Hill, DG Musaev Inorganic chemistry 45 (14), 5703-5709, 2006 | 76 | 2006 |
| Crystallographic, Spectroscopic, and Computational Analysis of a Flavin C4a−Oxygen Adduct in Choline Oxidase, AM Orville, GT Lountos, S Finnegan, G Gadda, R Prabhakar Biochemistry 48 (4), 720-728, 2009 | 72 | 2009 |
| A redox-active, compact molecule for cross-linking amyloidogenic peptides into nontoxic, off-pathway aggregates: in vitro and in vivo efficacy and molecular mechanisms JS Derrick, RA Kerr, Y Nam, SB Oh, HJ Lee, KG Earnest, N Suh, KL Peck, ... Journal of the American Chemical Society 137 (46), 14785-14797, 2015 | 69 | 2015 |
| Dimerization of the full-length Alzheimer amyloid β-peptide (Aβ42) in explicit aqueous solution: A molecular dynamics study X Zhu, RP Bora, A Barman, R Singh, R Prabhakar The Journal of Physical Chemistry B 116 (15), 4405-4416, 2012 | 67 | 2012 |
| Oxygen Binding to [Pd (L)(L′)](L= NHC, L′= NHC or PR3, NHC= N-Heterocyclic Carbene). Synthesis and Structure of a Paramagnetic trans-[Pd (NHC) 2 (η1-O2) 2] Complex X Cai, S Majumdar, GC Fortman, CSJ Cazin, AMZ Slawin, C Lhermitte, ... Journal of the American Chemical Society 133 (5), 1290-1293, 2011 | 65 | 2011 |
| Hydrocarbons Depending on the Chain Length and Head Group Adopt Different Conformations within a Water-Soluble Nanocapsule: 1H NMR and Molecular … R Choudhury, A Barman, R Prabhakar, V Ramamurthy The Journal of Physical Chemistry B 117 (1), 398-407, 2013 | 63 | 2013 |
| Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzyme A Barman, S Schürer, R Prabhakar Biochemistry 50 (20), 4337-4349, 2011 | 63 | 2011 |
| Peroxynitrite reductase activity of selenoprotein glutathione peroxidase: a computational study R Prabhakar, K Morokuma, DG Musaev Biochemistry 45 (22), 6967-6977, 2006 | 61 | 2006 |
| Dynamics of anthracene excimer formation within a water-soluble nanocavity at room temperature A Das, A Danao, S Banerjee, AM Raj, G Sharma, R Prabhakar, ... Journal of the American Chemical Society 143 (4), 2025-2036, 2021 | 48 | 2021 |
| Elucidating the catalytic mechanism of β-secretase (BACE1): A quantum mechanics/molecular mechanics (QM/MM) approach A Barman, R Prabhakar Journal of Molecular Graphics and Modelling 40, 1-9, 2013 | 48 | 2013 |
| Is the protein surrounding the active site critical for hydrogen peroxide reduction by selenoprotein glutathione peroxidase? An ONIOM study R Prabhakar, T Vreven, MJ Frisch, K Morokuma, DG Musaev The Journal of Physical Chemistry B 110 (27), 13608-13613, 2006 | 47 | 2006 |
