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51

NMR studies of bond orders in heteroaromatic systems

Jill E. Gready, Paul M. Hatton, Sever Sternhell

Journal:

Journal of Heterocyclic Chemistry

Year:

1992

File:

PDF, 890 KB

1992

52

An improved procedure for the preparation of 2-amino-8-alkylpyrido-[2,3-d]pyrimidin-4(3H)-ones (8-alkyl-N5-deazapterins)

Michael T. G. Ivery, Jill E. Gready

Journal:

Journal of Heterocyclic Chemistry

Year:

1994

File:

PDF, 1.11 MB

1994

53

Mechanistic aspects of biological redox reactions involving NADH: Part 3. Quantum chemical studies of substrates for L-lactate dehydrogenase

Kathryn E. Norris, Jill E. Gready

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 1.75 MB

english, 1992

54

Mechanistic aspects of biological redox reactions involving NADH. Part 4. Possible mechanisms and corresponding intermediates for the catalytic reaction in L-lactate dehydrogenase

Kathryn E. Norris, Jill E. Gready

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 2.34 MB

english, 1993

55

C-type lectin-like domains inFugu rubripes

Alex N Zelensky, Jill E Gready

Journal:

Year:

2004

Language:

english

File:

PDF, 603 KB

english, 2004

56

Ionization state and pKa of pterin-analogue ligands bound to dihydrofolate reductase

Soon-Seog JEONG, Jill E. GREADY

Journal:

Year:

1994

Language:

english

File:

PDF, 663 KB

english, 1994

57

The prion protein gene: Identifying regulatory signals using marsupial sequence

Marko Premzl, Margaret Delbridge, Jill E. Gready, Peter Wilson, Matthew Johnson, John Davis, Elizabeth Kuczek, Jennifer A. Marshall Graves

Journal:

Year:

2005

Language:

english

File:

PDF, 434 KB

english, 2005

58

Integron-sequestered dihydrofolate reductase: a recently redeployed enzyme

Hernán Alonso, Jill E. Gready

Journal:

Trends in Microbiology

Year:

2006

Language:

english

File:

PDF, 309 KB

english, 2006

59

Copper-induced conformational change in a marsupial prion protein repeat peptide probed using FTIR spectroscopy

Marsia Gustiananda, Parvez I. Haris, Peter J. Milburn, Jill E. Gready

Journal:

Year:

2002

Language:

english

File:

PDF, 117 KB

english, 2002

60

Shadoo, a new protein highly conserved from fish to mammals and with similarity to prion protein

Marko Premzl, Lorenzo Sangiorgio, Bice Strumbo, Jennifer A Marshall Graves, Tatjana Simonic, Jill E Gready

Journal:

Year:

2003

Language:

english

File:

PDF, 544 KB

english, 2003

61

Conformation of Prion Protein Repeat Peptides Probed by FRET Measurements and Molecular Dynamics Simulations

Gustiananda, Marsia, Liggins, John R., Cummins, Peter L., Gready, Jill E.

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 279 KB

english, 2004

62

Theoretical studies on pteridines: Part V. comparison of STO-3G, 3-21G and experimental geometries

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 510 KB

english, 1985

63

Mechanistic aspects of biological redox reactions involving NADH 1: Ab initio quantum chemical structures of the 1-methyl-nicotinamide and 1-methyl-dihydronicotinamide coenzyme analogues

Peter L. Cummins, Jill E. Gready

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1989

Language:

english

File:

PDF, 862 KB

english, 1989

64

Combined Quantum and Molecular Mechanics (QM/MM) Study of the Ionization State of 8-Methylpterin Substrate Bound to Dihydrofolate Reductase

Cummins, Peter L., Gready, Jill E.

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 110 KB

english, 2000

65

Theoretical study of the variability of the electric field gradient tensor of oxygen nuclei in organic molecules

Gready, Jill E.

Journal:

Journal of Physical Chemistry

Year:

1984

Language:

english

File:

PDF, 898 KB

english, 1984

66

Molecular dynamics/free energy perturbation study on the relative affinities of the binding of reduced and oxidized NADP to dihydrofolate reductase

Cummins, Peter L., Ramnarayan, K., Singh, U. C., Gready, Jill E.

Journal:

Journal of the American Chemical Society

Year:

1991

Language:

english

File:

PDF, 1.28 MB

english, 1991

67

Energetically Most Likely Substrate and Active-Site Protonation Sites and Pathways in the Catalytic Mechanism of Dihydrofolate Reductase

Cummins, Peter L., Gready, Jill E.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 150 KB

english, 2001

68

Ensuring Mixing Efficiency of Replica-Exchange Molecular Dynamics Simulations

Abraham, Mark J., Gready, Jill E.

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 759 KB

english, 2008

69

NMR studies of bond order in distorted aromatic systems

Gready, Jill E., Hambley, Trevor W., Kakiuchi, Kiyomi, Kobiro, Kazuya, Sternhell, Sever, Tansey, Charles W., Tobe, Yoshito

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 414 KB

english, 1990

70

Theoretical studies on pteridines

Gready, Jill E.

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 972 KB

english, 1984

71

Structure-Activity Relationships for the 8-Alkylpterins: A New Class of Mechanism-Based Substrates for Dihydrofolate Reductase (DHFR)

Ivery, Michael T. G., Gready, Jill E.

Journal:

Year:

1995

Language:

english

File:

PDF, 3.25 MB

english, 1995

72

Redefinition of Rubisco Carboxylase Reaction Reveals Origin of Water for Hydration and New Roles for Active-Site Residues

Kannappan, Babu, Gready, Jill E.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1.94 MB

english, 2008

73

Calculation of a Complete Enzymic Reaction Surface: Reaction and Activation Free Energies for Hydride-Ion Transfer in Dihydrofolate Reductase

Cummins, Peter L., Rostov, Ivan V., Gready, Jill E.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 149 KB

english, 2007

74

Quantum Chemical Analysis of the Enolization of Ribulose Bisphosphate: The First Hurdle in the Fixation of CO 2 by Rubisco †

King, William A., Gready, Jill E., Andrews, T. John

Journal:

Year:

1998

Language:

english

File:

PDF, 93 KB

english, 1998

75

Identification of Active-Site Residues of the Pro-Metastatic Endoglycosidase Heparanase †

Hulett, Mark D., Hornby, June R., Ohms, Stephen J., Zuegg, Johannes, Freeman, Craig, Gready, Jill E., Parish, Christopher R.

Journal:

Year:

2000

Language:

english

File:

PDF, 256 KB

english, 2000

76

CO 2 Fixation by Rubisco: Computational Dissection of the Key Steps of Carboxylation, Hydration, and C−C Bond Cleavage

Mauser, Harald, King, William A., Gready, Jill E., Andrews, T. John

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 285 KB

english, 2001

77

Methyltetrahydrofolate:corrinoid/iron−sulfur Protein Methyltransferase (MeTr): Protonation State of the Ligand and Active-Site Residues

Alonso, Hernán, Cummins, Peter L., Gready, Jill E.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.99 MB

english, 2009

78

Enzymic properties of a new mechanism-based substrate for dihydrofolate reductase

Thibault, Vincenza, Koen, Mark J., Gready, Jill E.

Journal:

Year:

1989

Language:

english

File:

PDF, 959 KB

english, 1989

79

The relationship between nuclear quadrupole coupling constants and the asymmetry parameter. The interplay of theory and experiment

Gready, Jill E.

Journal:

Journal of the American Chemical Society

Year:

1981

Language:

english

File:

PDF, 1.20 MB

english, 1981

80

Putative Functional Role for the Invariant Aspartate 263 Residue of Rhodospirillum rubrum Rubisco †

Liggins, John R., Gready, Jill E.

Journal:

Year:

2009

Language:

english

File:

PDF, 1.35 MB

english, 2009

81

Computational Methods for the Study of Enzymic Reaction Mechanisms. 1. Application to the Hydride Transfer Step in the Catalysis of Dihydrofolate Reductase

Cummins, Peter L., Greatbanks, Stephen P., Rendell, Alistair P., Gready, Jill E.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 196 KB

english, 2002

82

Bond-order dependence of orthobenzylic coupling constants involving a methyl group [4J(MeC-CH)]

Barfield, Michael, Collins, Michael J., Gready, Jill E., Sternhell, Sever, Tansey, Charles W.

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 598 KB

english, 1989

83

Hybrid Quantum and Molecular Mechanical (QM/MM) Studies on the Pyruvate to l -Lactate Interconversion in l -Lactate Dehydrogenase

Ranganathan, Shoba, Gready, Jill E.

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 227 KB

english, 1997

84

Theoretical studies on pteridines. 3. Geometries, tautomer and ionization energies, and rearrangement and reduction mechanisms of the quinonoid dihydropterin substrates of dihydropteridine reductase

Gready, Jill E.

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 835 KB

english, 1985

85

Theoretical studies on the activation of the pterin cofactor in the catalytic mechanism of dihydrofolate reductase

Gready, Jill E.

Journal:

Year:

1985

Language:

english

File:

PDF, 739 KB

english, 1985

86

Preparation of 8-substituted pyrido[2,3-d]pyrimidines (N5-deazapterins)

Koen, Mark J., Gready, Jill E.

Journal:

Journal of Organic Chemistry

Year:

1993

Language:

english

File:

PDF, 586 KB

english, 1993

87

Structure-Activity Relationships and pH Dependence of Binding of 8-Alkyl-N5-Deazapterins to Dihydrofolate Reductase

Ivery, Michael T. G., Gready, Jill E.

Journal:

Journal of Medicinal Chemistry

Year:

1994

Language:

english

File:

PDF, 1.28 MB

english, 1994

88

pH Dependence of Enzyme Reaction Rates and Deuterium Isotope Effects on the Reduction of a New Mechanism-Based Substrate by Dihydrofolate Reductase (DHFR)

Jeong, Soon-Seog, Gready, Jill E.

Journal:

Year:

1995

Language:

english

File:

PDF, 793 KB

english, 1995

89

Mechanistic aspects of biological redox reactions involving NADH. Part 5.?AM1 transition-state studies for the pyruvate?L-lactate interconversion in L-lactate dehydrogenase

Ranganathan, Shoba, Gready, Jill E.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1994

Language:

english

File:

PDF, 1.34 MB

english, 1994

90

Comparison of electrostatic potential around proteins calculated from Amber and AM1 charges: application to mutants of prion protein

ZUEGG, JOHANNES, BLIZNYUK, ANDREY A., GREADY, JILL E.

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 1.06 MB

english, 2003

91

The Influence of Starting Coordinates in Free Energy Simulations of Ligand Binding to Dihydrofolate Reductase

Cummins, Peter L., Gready, Jill E.

Journal:

Molecular Simulation

Year:

1995

Language:

english

File:

PDF, 1.21 MB

english, 1995

92

An Efficient Z-Score Algorithm for Assessing Sequence Alignments

Booth, Hilary S., Maindonald, John H., Wilson, Susan R., Gready, Jill E.

Journal:

Journal of Computational Biology

Year:

2004

Language:

english

File:

PDF, 199 KB

english, 2004

93

Prediction and experimental comparison of deuterium quadrupole coupling constants in some bifluoride salts: An extreme example of symmetric hydrogen bonding in different crystalline environments

Bacskay, George B., Gready, Jill E.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 1.44 MB

english, 1988

94

On the absolute signs of the CH and CN dipole moment derivatives of HCN

Gready, Jill E., Bacskay, G. B., Hush, N. S.

Journal:

The Journal of Chemical Physics

Year:

1979

Language:

english

File:

PDF, 362 KB

english, 1979

95

pH-Dependence of the Structure and Degradation of 8-Alkyl-Substituted Pterins

JEONG, Soon-Seog, GREADY, Jill E.

Journal:

Biological Chemistry Hoppe-Seyler

Year:

1992

Language:

english

File:

PDF, 2.47 MB

english, 1992

96

Approaches to the Preparation of 6- and 7-Methyl-8-Substituted Pterins: Part 1. The Effect of Reaction Conditions on Isomer Distribution and a Novel Approach to Isomer Separation

IVERY, Michael T. G., GREADY, Jill E.

Journal:

Biological Chemistry Hoppe-Seyler

Year:

1992

Language:

english

File:

PDF, 2.23 MB

english, 1992

97

A New Approach to Estimation of the Electrostatic Component of the Solvation Energy in Molecular Mechanics Calculations

Bliznyuk, Andrey A., Gready, Jill E.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 831 KB

english, 1995

98

[Advances in Pharmacology] Volume 17 || Dihydrofolate Reductase: Binding of Substrates and Inhibitors and Catalytic Mechanism

Gready, Jill E.

Year:

1980

Language:

english

File:

PDF, 3.84 MB

english, 1980

99

Stability of Older Adults' Preferences for Life-Sustaining Medical Treatment.

Ditto, Peter H., Smucker, William D., Danks, Joseph H., Jacobson, Jill A., Houts, Renate M., Fagerlin, Angela, Coppola, Kristen M., Gready, R. Mitchell

Journal:

Health Psychology

Year:

2003

Language:

english

File:

PDF, 524 KB

english, 2003

100

Use of SCX HPLC in the Study of 8-Alkyl-Pterins and their Reduced Derivatives

Wong, Susan D., Gready, Jill E.

Journal:

Year:

1991

Language:

german

File:

PDF, 2.55 MB

german, 1991

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