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51

The use of computer analysis in describing multiple opiate receptors

Lawrence Toll, Christopher Keys, Willma Polgar, Gilda Loew

Journal:

Year:

1984

Language:

english

File:

PDF, 243 KB

english, 1984

52

Effect of structural modifications in the C7-C11 region of the retinoid skeleton on biological activity in a series of aromatic retinoids

Dawson, Marcia I., Hobbs, Peter D., Derdzinski, Krzysztof A., Chao, Wan Ru, Frenking, Gernot, Loew, Gilda H., Jetten, Anton M., Napoli, Joseph L., Williams, John B.

Journal:

Journal of Medicinal Chemistry

Year:

1989

Language:

english

File:

PDF, 1.89 MB

english, 1989

53

An ab Initio Model System Investigation of the Proposed Mechanism for Activation of Peroxidases: Cooperative Catalytic Contributions from the Ion and Microsolvent Water

Woon, David E., Loew, Gilda H.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 57 KB

english, 1998

54

Ab initio SCF studies of interactions of lithium(+), sodium(+), beryllium(2+), and magnesium(2+) ions with dihydrogen phosphate(-) ion: model for cation binding to nucleic acids

Liebmann, Peter, Loew, Gilda, McLean, A. D., Pack, George R.

Journal:

Journal of the American Chemical Society

Year:

1982

Language:

english

File:

PDF, 893 KB

english, 1982

55

Quantum chemical studies of morphine-like opiate narcotics. Effect of N-substituent variations

Loew, Gilda H., Berkowitz, Donald S.

Journal:

Journal of Medicinal Chemistry

Year:

1975

Language:

english

File:

PDF, 856 KB

english, 1975

56

Calculated electronic spectra of model ferric cytochrome P450 complexes

Ahmad Waleh, Jack R. Collins, Gilda H. Loew, M. C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 820 KB

english, 1986

57

Structural and electronic requirements for binding at the Mu–opioid receptor

Chiara Cometta–Morini, Gilda H. Loew

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 740 KB

english, 1992

58

Energy-conformation studies of HCN, HNC and CN−: A comparison of results from EH-SCC and SCF molecular orbital calculations

Gilda Harris Loew

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1971

Language:

english

File:

PDF, 825 KB

english, 1971

59

Electronic structure and properties of model oxy and carboxy ferrous cytochrome P450: Comparison of semiempirical and ab-initio calculations

Marie-Madeleine Rohmer, Gilda H. Loew

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 548 KB

english, 1979

60

Role of axial ligand in the electronic structure of model compound I complexes

Ping Du, Gilda H. Loew

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 643 KB

english, 1992

61

Quantum chemical calculations of flexible opiate narcotics: Methadone, meperidine, and prodines

Gilda H. Loew, J. Randal Jester, Donald Berkowitz, Richard C. Newth

Journal:

International Journal of Quantum Chemistry

Year:

1975

Language:

english

File:

PDF, 514 KB

english, 1975

62

Properties of selective type I benzodiazepine receptor ligands

Hugo O. Villar, Gilda H. Loew

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 996 KB

english, 1991

63

A theoretical study of the electromagnetic properties of ferrocene and the ferrocenium ion

Robert F. Kirchner, Gilda H. Loew, Ulrich T. Mueller-Westerhoff

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1976

Language:

english

File:

PDF, 311 KB

english, 1976

64

Determinants of the spin state of the resting state of cytochrome P450cam

Harris, Dan, Loew, Gilda

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 617 KB

english, 1993

65

Effects of addition of a 2-methyl group to ethyl nipecotates (.beta.-meperidines) on receptor affinities and opiate agonist/antagonist activities

Lawson, John A., Cheng, Alice, DeGraw, Joseph, Frenking, Gernot, Uyeno, Edward, Toll, Lawrence, Loew, Gilda H.

Journal:

Journal of Medicinal Chemistry

Year:

1988

Language:

english

File:

PDF, 981 KB

english, 1988

66

Prediction of Regiospecific Hydroxylation of Camphor Analogs by Cytochrome P450cam

Harris, Dan, Loew, Gilda

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 1.67 MB

english, 1995

67

Molecular orbital calculations of the catalytic effect of lysozyme: 1. Glu 35 as general acid catalyst

Gilda H. Loew, David D. Thomas

Journal:

Journal of Theoretical Biology

Year:

1972

Language:

english

File:

PDF, 839 KB

english, 1972

68

Binding of O2, NO, and CO to model active sites in ferrous heme proteins: Ligand geometry, electronic structure, and quadrupole splittings

Gilda H. Loew, Robert F. Kirchner

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 566 KB

english, 1978

69

Conformational study of Met-enkephalin in its zwitterionic form

Juan J. Perez, Gilda H. Loew, Hugo O. Villar

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 615 KB

english, 1992

70

Ab initio study of catalyzed and uncatalyzed amide bond formation as a model for peptide bond formation: Ammonia-formic acid and ammonia-glycine reactions

Tetsuro Oie, Gilda H. Loew, Stanley K. Burt, J. Stephen Binkley, Robert D. MacElroy

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 983 KB

english, 1982

71

A comparison of molecular orbital and crystal field calculations of ferric heme compounds

Gilda Hakris-Loew

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1970

Language:

english

File:

PDF, 1.04 MB

english, 1970

72

Unraveling the identity of benzodiazepine binding sites in rat hipppocampus and olfactory bulb

Jelveh Lameh, Paul Wang, David Elgart, David Meredith, Steven L. Shafer, Gilda H. Loew

Journal:

European Journal of Pharmacology

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

73

Novel μ-selective Met-enkephalinamide analogs with antagonist activity. : Synthesis, receptor binding, analgesic properties and conformational studies

AMRIT K. JUDD, JOHN A. LAWSON, CRIS M. OLSEN, LAWRENCE R. TOLL, WILLMA E. POLGAR, EDWARD T. UYENO, CHRISTOPHER J. KEYS, GILDA H. LOEW

Journal:

Chemical Biology & Drug Design

Year:

1987

Language:

english

File:

PDF, 1.27 MB

english, 1987

74

Active site models of horseradish peroxidase compound I and a cytochrome P-450 analog: electronic structure and electric field gradients

Loew, Gilda H., Kert, Charles J., Hjelmeland, Leonard M., Kirchner, Robert F.

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 367 KB

english, 1977

75

Calculated and experimental absolute stereochemistry of the styrene and .beta.-methylstyrene epoxides formed by cytochrome P 450cam

Fruetel, Julia A., Collins, Jack R., Camper, Debra L., Loew, Gilda H., Ortiz de Montellano, Paul R.

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.00 MB

english, 1992

76

Comparative study of semiempirical methods for calculating interactions between large molecules with an application to the actinomycin—Guanine complex

George R. Pack, Gilda H. Loew, Shinichi Yamabe, Keiji Morokuma

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 829 KB

english, 1978

77

Conformational and electronic properties of met-enkephalin

Gilda H. Loew, Hugo O. Villar, Chiara Cometta, Juan J. Perez

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 788 KB

english, 1991

78

Assessment of δ-opioid receptor activation by a series of peptides in cultured cells

ELIZABETH M. COSTA, BRIAN B. HOFFMAN, GILDA H. LOEW

Journal:

Chemical Biology & Drug Design

Year:

1992

Language:

english

File:

PDF, 437 KB

english, 1992

79

Cytochrome P450 mediated aromatic oxidation: a theoretical study

Korzekwa, Kenneth, Trager, William, Gouterman, Martin, Spangler, Dale, Loew, Gilda

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 861 KB

english, 1985

80

A Role for Thr 252 in Cytochrome P450cam Oxygen Activation

Harris, Danni L., Loew, Gilda H.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.21 MB

english, 1994

81

Characterization of the bioactive form of linear peptide antagonists at the δ-opioid receptor

Tain-Ming Chao, Juan J. Perez, Gilda H. Loew

Journal:

Year:

1996

Language:

english

File:

PDF, 817 KB

english, 1996

82

Mechanistic structure—Activity studies of carcinogenic dialkylnitrosamines

Gilda H. Loew, Michael T. Poulsen, Dale Spangler, Elizabeth Kirkjian

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 644 KB

english, 1983

83

Semiempirical MNDO/H calculations of opiates: Part 1. Building blocks: conformations of piperidine derivatives and the effect of hydrogen bonding

Amiram Goldblum, Omar Deeb, Gilda H. Loew

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 1.00 MB

english, 1990

84

Structure-activity studies of β-carboline analogs

John A. Lawson, Edward T. Uyeno, John Nienow, Gilda H. Loew, Lawrence Toll

Journal:

Year:

1984

Language:

english

File:

PDF, 371 KB

english, 1984

85

A Theoretical Study of Benzhydroxamic Acid Binding Modes in Horseradish Peroxidase

Chang, Yan-Tyng, Veitch, Nigel C., Loew, Gilda H.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 290 KB

english, 1998

86

Thioanisole Sulfoxidation by Cytochrome P450cam (CYP101): Experimental and Calculated Absolute Stereochemistries

Fruetel, Julia, Chang, Yan-Tyng, Collins, Jack, Loew, Gilda, Ortiz de Montellano, Paul R.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 748 KB

english, 1994

87

Electronic structure and electric field gradients in oxyhemoglobin and -cytochrome P-450 model compounds

Loew, Gilda H., Kirchner, Robert F.

Journal:

Journal of the American Chemical Society

Year:

1975

Language:

english

File:

PDF, 406 KB

english, 1975

88

Theoretical investigation of the anaerobic reduction of halogenated alkanes by cytochrome P-450. 2. Vertical electron affinities of chlorofluoromethanes as a measure of their activity

Luke, Brian T., Loew, Gilda H., McLean, A. D.

Journal:

Journal of the American Chemical Society

Year:

1988

Language:

english

File:

PDF, 751 KB

english, 1988

89

Structure and Spectra of Ferrous Dioxygen and Reduced Ferrous Dioxygen Model Cytochrome P450

Harris, Dan, Loew, Gilda, Waskell, Lucy

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 238 KB

english, 1998

90

Solid-state stereochemistry of nefopam hydrochloride, a benzoxazocine analgesic drug

Glaser, Robert, Frenking, Gernot, Loew, Gilda H., Donnell, David, Cohen, Shmuel, Agranat, Israel

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1989

Language:

english

File:

PDF, 1.15 MB

english, 1989

91

ChemInform Abstract: ENERGIE-KONFORMATION-UNTERSUCHUNGEN DES CYANWASSERSTOFF-TETRAMEREN, EIN PRAEBIOTISCHER VORLAEUFER

LOEW, GILDA H., CHANG, SHERWOOD

Journal:

Chemischer Informationsdienst

Year:

1973

File:

PDF, 133 KB

1973

92

Molecular determinants of recognition and activation at the cerebellar benzodiazepine receptor site

Laura T. Schove, Juan J. Perez, Gilda H. Loew

Journal:

Bioorganic & Medicinal Chemistry

Year:

1994

Language:

english

File:

PDF, 2.13 MB

english, 1994

93

Theoretical investigation of a proposed [HIS 175-ASP 235-TRP 191] proton transfer system in cytochrome c peroxidase

Gilda H. Loew, Jack R. Collins, Frank U. Axe

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 488 KB

english, 1989

94

Calculated ground-state properties and optical spectrum of model carbonylheme complexes

Zelek S. Herman, Gilda H. Loew, Marie-Madeleine Rohmer

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 757 KB

english, 1980

95

Mechanistic studies of oxene reactions with organic substrates: Reaction paths on MNDO enthalpy surfaces—models for cytochrome P450 oxidations

Andrew T. Pudzianowski, Gilda H. Loew

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 587 KB

english, 1983

96

Characterization of low-energy conformational domains for Met-enkephalin

Juan J. Perez, Hugo O. Villar, Gilda H. Loew

Journal:

Journal of Computer-Aided Molecular Design

Year:

1992

Language:

english

File:

PDF, 933 KB

english, 1992

97

Calculated spin densities and quadrupole splitting for model horseradish peroxidase compound I: evidence for iron(IV) porphyrin (S = 1) .pi. cation radical electronic structure

Loew, Gilda H., Herman, Zelek S.

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 306 KB

english, 1980

98

Role of Protein Environment in Horseradish Peroxidase Compound I Formation: Molecular Dynamics Simulations of Horseradish Peroxidase−HOOH Complex

Filizola, Marta, Loew, Gilda H.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 303 KB

english, 2000

99

Interaction of metal ions and nucleotides: possible mechanisms for the adsorption of nucleotides on homoionic bentonite clays

Liebmann, Peter., Loew, Gilda., Burt, Stanley., Lawless, James., MacElroy, R. D.

Journal:

Inorganic Chemistry

Year:

1982

Language:

english

File:

PDF, 990 KB

english, 1982

100

The reaction of atomic oxygen with methanethiol. A theoretical study of the structures and the potential energy surface

Yan-Tyng Chang, Gilda H. Loew

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 556 KB

english, 1993

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