Rajeev Prabhakar

发表

Unraveling the photoluminescence response of light-switching ruthenium(II) complexes bound to amyloid-β.

A. Martí, N. P. Cook, M. Ozbil, 2013, Journal of the American Chemical Society.

Peptide hydrogel with self-healing and redox-responsive properties

Liam R. Marshall, O. Makhlynets, Areetha D'Souza, 2022, Nano Convergence.

Does the Active Site of Mammalian Glutathione Peroxidase (GPx) Contain Water Molecules? An ONIOM Study

K. Morokuma, D. Musaev, Rajeev Prabhakar, 2004 .

Gas and Vapor Sorption and Permeation in Poly(2,2,4-trifluoro-5-trifluoromethoxy-1,3-dioxole-co-tetrafluoroethylene)

B. Freeman, Rajeev Prabhakar, I. Roman, 2004 .

Effects of the Metal Ion on the Mechanism of Phosphodiester Hydrolysis Catalyzed by Metal-Cyclen Complexes

Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar, Joshua Zuchniarz, 2019, Front. Chem..

Dimerization of the full-length Alzheimer amyloid β-peptide (Aβ42) in explicit aqueous solution: a molecular dynamics study.

Arghya Barman, Rajeev Prabhakar, Xiaoxia Zhu, 2012, The journal of physical chemistry. B.

Application of hydrocarbon—fluorocarbon interactions in membrane-based gas separations

B. Freeman, Rajeev Prabhakar, 2002 .

Is the protein surrounding the active site critical for hydrogen peroxide reduction by selenoprotein glutathione peroxidase? An ONIOM study.

K. Morokuma, M. Frisch, T. Vreven, 2006, The journal of physical chemistry. B.

Computational Insights into Substrate and Site Specificities, Catalytic Mechanism, and Protonation States of the Catalytic Asp Dyad of β-Secretase

Arghya Barman, Rajeev Prabhakar, 2014, Scientifica.

Closed nanocontainer enables thioketones to phosphoresce at room temperature in aqueous solution.

S. Jockusch, N. Turro, Rajeev Prabhakar, 2010, The journal of physical chemistry. B.

A theoretical study of the dioxygen activation by glucose oxidase and copper amine oxidase.

B. Minaev, P. Siegbahn, Rajeev Prabhakar, 2003, Biochimica et biophysica acta.

Elucidating the catalytic mechanism of β-secretase (BACE1): a quantum mechanics/molecular mechanics (QM/MM) approach.

Arghya Barman, Rajeev Prabhakar, 2013, Journal of molecular graphics & modelling.

Structural and Mechanistic Insights into Development of Chemical Tools to Control Individual and Inter-Related Pathological Features in Alzheimer's Disease.

Thomas J. Paul, B. Ruotolo, A. Ramamoorthy, 2017, Chemistry.

Gas and Vapor Sorption, Permeation, and Diffusion in Poly(tetrafluoroethylene-co-perfluoromethyl vinyl ether)

G. C. Sarti, B. Freeman, G. Sarti, 2005 .

Crystallographic, spectroscopic, and computational analysis of a flavin C4a-oxygen adduct in choline oxidase.

G. Gadda, A. Orville, Rajeev Prabhakar, 2009, Biochemistry.

Interactions of Urea-Based Inhibitors with Prostate-Specific Membrane Antigen for Boron Neutron Capture Therapy

Junwei Shi, A. Pollack, W. Tao, 2021, ACS omega.

Investigating coordination flexibility of glycerophosphodiesterase (GpdQ) through interactions with mono-, di-, and triphosphoester (NPP, BNPP, GPE, and paraoxon) substrates.

Vindi M. Jayasinghe-Arachchige, Thomas J. Paul, G. Schenk, 2019, Physical chemistry chemical physics : PCCP.

CD 11 b activation suppresses TLR-dependent inflammation and autoimmunity in systemic lupus erythematosus

Jessica M. Dorschner, B. Issac, E. Bradshaw, 2017 .

Coordination-mode control of bound nitrile radical complex reactivity: intercepting end-on nitrile-Mo(III) radicals at low temperature.

C. Hoff, C. Cummins, Rajeev Prabhakar, 2009, Journal of the American Chemical Society.

Cotinine reduces amyloid-β aggregation and improves memory in Alzheimer's disease mice.

D. Sattelle, D. Kirschner, R. Leblanc, 2011, Journal of Alzheimer's disease : JAD.

Role of hydrogen bonds in molecular packing of photoreactive crystals: templating photodimerization of protonated stilbazoles in crystalline state with a combination of water molecules and chloride ions

Rajeev Prabhakar, B. Captain, V. Ramamurthy, 2014, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.

Mechanisms of peptide and phosphoester hydrolysis catalyzed by two promiscuous metalloenzymes (insulin degrading enzyme and glycerophosphodiesterase) and their synthetic analogues

Vindi M. Jayasinghe-Arachchige, Thomas J. Paul, Rajeev Prabhakar, 2020 .

Design of heparin oligosaccharide based molecules for inhibition of Alzheimer amyloid beta (Aβ40) aggregation

Thomas J. Paul, T. Ahmed, Rajeev Prabhakar, 2016 .

Comparative molecular dynamics studies of wild-type and oxidized forms of full-length Alzheimer amyloid beta-peptides Abeta(1-40) and Abeta(1-42).

L. Triguero, Rajeev Prabhakar, Rajiv Singh, 2008, The journal of physical chemistry. B.

Experimental and computational evidence of metal-O2 activation and rate-limiting proton-coupled electron transfer in a copper amine oxidase.

A. Mukherjee, Doreen E. Brown, D. Dooley, 2013, The journal of physical chemistry. B.

Hydrolysis of chemically distinct sites of human serum albumin by polyoxometalate: A hybrid QM/MM (ONIOM) study

Tatjana N. Parac-Vogt, Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, 2018, J. Comput. Chem..

In vitro anti-Leishmania activity of new isomeric cobalt(II)complexes and in silico insights: Mitochondria impairment and apoptosis-like cell death of the parasite.

F. Xavier, Rajeev Prabhakar, S. Seabra, 2022, Journal of inorganic biochemistry.

Remediation of Environmentally Hazardous Organophosphates by Artificial Metalloenzymes

Rajeev Prabhakar, P. Rathee, Jiawen Yang, 2021 .

Hybrid peptide ATCUN-sh-Buforin: Influence of the ATCUN charge and stereochemistry on antimicrobial activity.

Thomas J. Paul, Rajeev Prabhakar, A. Angeles‐Boza, 2015, Biochimie.

Heteromeric three-stranded coiled coils designed using a Pb(ii)(Cys)3 template mediated strategy

Vindi M. Jayasinghe-Arachchige, Thomas J. Paul, L. Ruckthong, 2020, Nature Chemistry.

Organic Host Encapsulation Effects on Nitrosobenzene Monomer–Dimer Distribution and C–NO Bond Rotation in an Aqueous Solution

Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar, V. Ramamurthy, 2021, ACS organic & inorganic Au.

Spin Transition during H2O2 Formation in the Oxidative Half-Reaction of Copper Amine Oxidases

H. Ågren, B. Minaev, P. Siegbahn, 2004 .

Pb(II)-promoted amide cleavage: mechanistic comparison to a Zn(II) analogue.

Rajeev Prabhakar, Rajeev Prabhakar, A. Arif, 2013, Inorganic chemistry.

Room Temperature Phosphorescence from Encapsulated Pyrene Induced by Xenon.

Rajeev Prabhakar, V. Ramamurthy, V. Ramamurthy, 2019, The journal of physical chemistry. A.

Ultrafast Solvation Dynamics Reveal that Octa Acid Capsule's Interior Dryness Depends on the Guest.

Aritra Das, Rajeev Prabhakar, P. Sen, 2019, The journal of physical chemistry. A.

Space Constrained Stereoselective Geometric Isomerization of 1,2-Diphenylcyclopropane and Stilbenes in an Aqueous Medium.

Rajeev Prabhakar, V. Ramamurthy, A. Raj, 2019, Organic letters.

Mechanistic insights into metal (Pd2+, Co2+, and Zn2+)-β-cyclodextrin catalyzed peptide hydrolysis: a QM/MM approach.

Rajeev Prabhakar, Rajeev Prabhakar, Xiaoxia Zhu, 2014, The journal of physical chemistry. B.

Hydrocarbons depending on the chain length and head group adopt different conformations within a water-soluble nanocapsule: 1H NMR and molecular dynamics studies.

Arghya Barman, Rajeev Prabhakar, V. Ramamurthy, 2013, The journal of physical chemistry. B.

Dynamics of Anthracene Excimer Formation within a Water-Soluble Nanocavity at Room Temperature.

Aritra Das, Rajeev Prabhakar, P. Sen, 2021, Journal of the American Chemical Society.

Restricted rotation due to the lack of free space within a capsule translates into product selectivity: photochemistry of cyclohexyl phenyl ketones within a water-soluble organic capsule.

Rajeev Prabhakar, V. Ramamurthy, Rajib Choudhury, 2011, Chemical communications.

Cooperative Self-Assembly of a Quaternary Complex Formed by Two Cucurbit[7]uril Hosts, Cyclobis(paraquat-p-phenylene), and a "Designer" Guest.

A. Kaifer, Rajeev Prabhakar, J. Calles, 2016, Angewandte Chemie.

Insights into the mechanism of selective olefin epoxidation catalyzed by [gamma-(SiO4)W10O32H4]4-. A computational study.

K. Morokuma, D. Musaev, C. Hill, 2006, Inorganic chemistry.

Investigating Polyoxometalate-Protein Interactions at Chemically Distinct Binding Sites.

Thomas J. Paul, D. Quiñonero, T. Parac‐Vogt, 2018, The journal of physical chemistry. B.

Molecular Dynamics Investigation into the Effect of Zinc(II) on the Structure and Membrane Interactions of the Antimicrobial Peptide Clavanin A.

Eric R. May, Rajeev Prabhakar, A. Angeles‐Boza, 2019, The journal of physical chemistry. B.

A comparison of the mechanism for the reductive half‐reaction between pea seedling and other copper amine oxidases (CAOs)

Rajeev Prabhakar, Per E. M. Siegbahn, P. Siegbahn, 2003, J. Comput. Chem..

Ultrafast trans → cis Photoisomerization Dynamics of Alkyl-Substituted Stilbenes in a Supramolecular Capsule.

Christopher G. Elles, C. Elles, Rajeev Prabhakar, 2019, The journal of physical chemistry. A.

Gas and Vapor Transport Properties of Perfluoropolymers

Benny D. Freeman, Rajeev S. Prabhakar, T. Merkel, 2006 .

Low hydrocarbon solubility polymers: plasticization-resistant membranes for carbon dioxide removal from natural gas

Rajeev Prabhakar, 2004 .

Elucidation of interactions of Alzheimer amyloid beta peptides (Abeta40 and Abeta42) with insulin degrading enzyme: a molecular dynamics study.

Rajeev Prabhakar, R. Bora, 2010, Biochemistry.

Computational insights into the development of novel therapeutic strategies for Alzheimer's disease.

Rajeev Prabhakar, 2009, Future medicinal chemistry.

Computational Insights into Dynamics of Protein Aggregation and Enzyme-Substrate Interactions.

Arghya Barman, M. Ozbil, Rajeev Prabhakar, 2012, The journal of physical chemistry letters.

Disulfide Bridges Remain Intact while Native Insulin Converts into Amyloid Fibrils

I. Lednev, A. Shekhtman, D. Kurouski, 2012, PloS one.

Elucidating the Roles of Distinct Chemical Factors in the Hydrolytic Activities of Hetero- and Homonuclear Synthetic Analogues of Binuclear Metalloenzymes

Vindi M. Jayasinghe-Arachchige, G. Schenk, Rajeev Prabhakar, 2023, ACS Catalysis.

Promiscuous Catalytic Activity of a Binuclear Metallohydrolase: Peptide and Phosphoester Hydrolyses

Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar, Lukun Wang, 2022, J. Chem. Inf. Model..

Effect of Chemically Distinct Substrates on the Mechanism and Reactivity of a Highly Promiscuous Metallohydrolase

Vindi M. Jayasinghe-Arachchige, G. Schenk, Rajeev Prabhakar, 2020 .

Effects of Ligand Environment in Zr(IV) Assisted Peptide Hydrolysis

Gaurav Sharma, Tingting Zhang, Rajeev Prabhakar, 2017, J. Chem. Inf. Model..

Loss of Cleavage at β′-Site Contributes to Apparent Increase in β-Amyloid Peptide (Aβ) Secretion by β-Secretase (BACE1)-Glycosylphosphatidylinositol (GPI) Processing of Amyloid Precursor Protein*

Arghya Barman, Rajeev Prabhakar, S. Wagner, 2011, The Journal of Biological Chemistry.

CD11b activation suppresses TLR-dependent inflammation and autoimmunity in systemic lupus erythematosus

Jessica M. Dorschner, B. Issac, E. Bradshaw, 2017, The Journal of clinical investigation.

Translational, rotational and internal dynamics of amyloid beta-peptides (Abeta40 and Abeta42) from molecular dynamics simulations.

Rajeev Prabhakar, R. Bora, 2009, The Journal of chemical physics.

Simultaneous prediction of flux and retention for osmotic pressure controlled turbulent cross flow ultrafiltration

S. De, S. Dasgupta, Rajeev Prabhakar, 1999 .

A Redox-Active, Compact Molecule for Cross-Linking Amyloidogenic Peptides into Nontoxic, Off-Pathway Aggregates: In Vitro and In Vivo Efficacy and Molecular Mechanisms.

Jeffrey S Derrick, Edward J Merino, B. Ruotolo, 2015, Journal of the American Chemical Society.

Gas separation properties of aromatic polyimides

B. Freeman, Á. Lozano, J. D. Abajo, 2003 .

Self-consistent model of concentration and temperature dependence of permeability in rubbery polymers

Benny D. Freeman, Rajeev S. Prabhakar, Lora G. Toy, 2005 .

Activation of triplet dioxygen by glucose oxidase: Spin-orbit coupling in the superoxide ion

H. Ågren, B. Minaev, P. Siegbahn, 2002 .

Structure-Activity Relationship of Carbon Nitride Dots in Inhibiting Tau Aggregation.

Christopher J. Nelson, R. Leblanc, M. Bartoli, 2022, Carbon.

An Extended Polyanion Activation Surface in Insulin Degrading Enzyme

L. Hersh, M. Sheetz, D. Rodgers, 2015, PloS one.

A Potent Host Defense Peptide Triggers DNA Damage and is Active against Multi-Drug Resistant Gram-Negative Pathogens.

Eric R. May, A. Greenwood, M. Rooney, 2020, ACS infectious diseases.

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.

Thomas Frauenheim, Stephan Irle, Keiji Morokuma, 2007, Journal of chemical theory and computation.

Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzyme.

Arghya Barman, Rajeev Prabhakar, Arghya Barman, 2011, Biochemistry.

Structural and Mechanical Properties of Amyloid Beta Fibrils: A Combined Experimental and Theoretical Approach.

Thomas J. Paul, I. Lednev, V. Yadavalli, 2016, The journal of physical chemistry letters.

Peroxynitrite reductase activity of selenoprotein glutathione peroxidase: a computational study.

K. Morokuma, D. Musaev, Rajeev Prabhakar, 2006, Biochemistry.

Elucidation of insulin degrading enzyme catalyzed site specific hydrolytic cleavage of amyloid β peptide: a comparative density functional theory study

M. Ozbil, Rajeev Prabhakar, R. Bora, 2010, JBIC Journal of Biological Inorganic Chemistry.

Insights into the mechanism of methionine oxidation catalyzed by metal (Cu2+, Zn2+, and Fe3+)—Amyloid beta (Aβ) peptide complexes: A computational study

Rajeev Prabhakar, Arghya Barman, Woody Taves, 2009, J. Comput. Chem..

Mechanism of peptide hydrolysis by co-catalytic metal centers containing leucine aminopeptidase enzyme: a DFT approach

Arghya Barman, Shanghao Li, M. Ozbil, 2012, JBIC Journal of Biological Inorganic Chemistry.

Mechanisms of peptide hydrolysis by aspartyl and metalloproteases.

Thomas J. Paul, Arghya Barman, M. Ozbil, 2016, Physical chemistry chemical physics : PCCP.

Theoretical insights into the functioning of metallopeptidases and their synthetic analogues.

Thomas J. Paul, Arghya Barman, Ram Prasad Bora, 2015, Accounts of chemical research.

Which one among aspartyl protease, metallopeptidase, and artificial metallopeptidase is the most efficient catalyst in peptide hydrolysis?

Arghya Barman, Ram Prasad Bora, Rajeev Prabhakar, 2010, The journal of physical chemistry. B.

Computational insights into aspartyl protease activity of presenilin 1 (PS1) generating Alzheimer amyloid beta-peptides (Abeta40 and Abeta42).

Arghya Barman, Rajeev Prabhakar, Arghya Barman, 2009, The journal of physical chemistry. B.

A theoretical study of the mechanism for the biogenesis of cofactor topaquinone in copper amine oxidases.

Per E M Siegbahn, Rajeev Prabhakar, P. Siegbahn, 2004, Journal of the American Chemical Society.

Protonation States of the Catalytic Dyad of β-Secretase (BACE1) in the Presence of Chemically Diverse Inhibitors: A Molecular Docking Study

Rajeev Prabhakar, Arghya Barman, Arghya Barman, 2012, J. Chem. Inf. Model..

Deconvoluting binding sites in amyloid nanofibrils using time-resolved spectroscopy

Vindi M. Jayasinghe-Arachchige, A. Martí, Rajeev Prabhakar, 2023, Chemical science.

Photochemical Identification of Molecular Binding Sites on the Surface of Amyloid-β Fibrillar Aggregates

Thomas J. Paul, A. Martí, C. Pennington, 2017 .

Considerations for treating impurities in oxy-combustion flue gas prior to sequestration

Joel Sminchak, Bruce Sass, Hamid Farzan, 2009 .

Distinct chemical factors in hydrolytic reactions catalyzed by metalloenzymes and metal complexes.

Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar, P. Rathee, 2023, Chemical communications.

Molecular dynamics study to investigate the effect of chemical substitutions of methionine 35 on the secondary structure of the amyloid beta (Abeta(1-42)) monomer in aqueous solution.

L. Triguero, Rajeev Prabhakar, Rajiv Singh, 2008, Journal of Physical Chemistry B.

Tools for Teaching GAS SEPARATION USING POLYMERS

B. Freeman, Rajeev Prabhakar, David T. C Oker, 2003 .

Structural and Material Properties of Amyloid Aβ40/42 Fibrils.

Thomas J. Paul, Rajeev Prabhakar, Kwaichow B. Chan, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): Role of the active site cysteine‐6 residue in the oxidative half‐reaction

Rajeev Prabhakar, Djamaladdin G. Musaev, Keiji Morokuma, 2006, J. Comput. Chem..

Peptide Hydrolysis by Metal-Cyclen Complexes and Their Analogues: Insights from Theoretical Studies

Rajeev Prabhakar, Rajeev Prabhakar, Xiaoxia Zhu, 2014 .

Interactions of Urea-Based Inhibitors with Prostate-Specific Membrane Antigen for Boron Neutron Capture Therapy

Junwei Shi, A. Pollack, W. Tao, 2021, ACS omega.

Unraveling the photoluminescence response of light-switching ruthenium(II) complexes bound to amyloid-β.

A. Martí, N. P. Cook, M. Ozbil, 2013, Journal of the American Chemical Society.

Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzyme.

Arghya Barman, Rajeev Prabhakar, S. Schürer, 2011, Biochemistry.

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(η(1)-O2)2] complex.

A. Slawin, S. Nolan, C. Hoff, 2011, Journal of the American Chemical Society.

Application of molecular dynamic simulations in modeling the excited state behavior of confined molecules

Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar, Dipendra Khadka, 2023, Photochemical & Photobiological Sciences.

Commercialization of oxy-coal combustion: Applying results of a large 30MWth pilot project

Nicolas Perrin, K. J. McCauley, Hamid Farzan, 2009 .

Closed nanocontainer enables thioketones to phosphoresce at room temperature in aqueous solution.

S. Jockusch, N. Turro, Rajeev Prabhakar, 2010, The journal of physical chemistry. B.

A Multipurpose Metallophore and Its Copper Complexes with Diverse Catalytic Antioxidant Properties to Deal with Metal and Oxidative Stress Disorders: A Combined Experimental, Theoretical, and In Vitro Study

Rajeev Prabhakar, A. Horn, Lino Meurer, 2024, Inorganic chemistry.

Mechanism of peptide hydrolysis by co-catalytic metal centers containing leucine aminopeptidase enzyme: a DFT approach

Arghya Barman, Shanghao Li, M. Ozbil, 2011, JBIC Journal of Biological Inorganic Chemistry.