The Mode of Action of Phospholipase A2:  Semiempirical MO Calculations Including the Protein Environment

Gudrun Schürer; Harald Lanig; Timothy Clark

doi:10.1021/jp993330i

The Mode of Action of Phospholipase A2: Semiempirical MO Calculations Including the Protein Environment

The Journal of Physical Chemistry B ◽

10.1021/jp993330i ◽

2000 ◽

Vol 104 (6) ◽

pp. 1349-1361 ◽

Cited By ~ 12

Author(s):

Gudrun Schürer ◽

Harald Lanig ◽

Timothy Clark

Keyword(s):

Phospholipase A2 ◽

Mode Of Action ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Protein Environment

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ChemInform Abstract: Unimolecular Dissociation of Primary Alkanediazonium Ions. Ab initio and Semiempirical MO Calculations.

Chemischer Informationsdienst ◽

10.1002/chin.198651088 ◽

1986 ◽

Vol 17 (51) ◽

Author(s):

G. P. FORD

Keyword(s):

Ab Initio ◽

Unimolecular Dissociation ◽

Mo Calculations ◽

Semiempirical Mo Calculations

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Mode of action of the lanthionine-containing peptide antibiotics duramycin, duramycin B and C, and cinnamycin as indirect inhibitors of phospholipase A2

Biochemical Pharmacology ◽

10.1016/0006-2952(91)90604-4 ◽

1991 ◽

Vol 42 (10) ◽

pp. 2027-2035 ◽

Cited By ~ 90

Author(s):

Fritz Märki ◽

Elvira Hänni ◽

Andreas Fredenhagen ◽

Jan van Oostrum

Keyword(s):

Phospholipase A2 ◽

Mode Of Action ◽

Peptide Antibiotics

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ChemInform Abstract: Ionization Energies of Triazines and Tetrazines. Application of Green′ s Function Method Coupled with Semiempirical MO Calculations

ChemInform ◽

10.1002/chin.199213036 ◽

2010 ◽

Vol 23 (13) ◽

pp. no-no

Author(s):

D. DANOVICH ◽

Y. APELOIG

Keyword(s):

Function Method ◽

Mo Calculations ◽

Ionization Energies ◽

Semiempirical Mo Calculations

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and semiempirical MO calculations of intermolecular effective exchange integrals between organic radicals. Designing of organic ferromagnet, ferrimagnet and ferromagnetic conductors

Synthetic Metals ◽

10.1016/0379-6779(87)90336-5 ◽

1987 ◽

Vol 19 (1-3) ◽

pp. 87-92 ◽

Cited By ~ 32

Author(s):

Kizashi Yamaguchi ◽

Yasuyuki Toyoda ◽

Masayoshi Nakano ◽

Takayuki Fueno

Keyword(s):

Organic Radicals ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Effective Exchange

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ChemInform Abstract: Gas-Phase Hydrolysis of Protonated Oxirane. Ab initio and Semiempirical MO Calculations.

ChemInform ◽

10.1002/chin.198728105 ◽

1987 ◽

Vol 18 (28) ◽

Author(s):

G. P. FORD ◽

C. T. SMITH

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Mo Calculations ◽

Semiempirical Mo Calculations ◽

Hydrolysis Of

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Molecular Structure of Heterocycles: 4# NMR Spectroscopy, X-Ray Diffraction, and Semiempirical Mo Calculations of 3-Phenyl-5-Hydroxy- 5-Trichloromethyl-4,5-Dihydro-FH-Pyrazole-1-Carboxyamide

Spectroscopy Letters ◽

10.1080/00387019909350032 ◽

1999 ◽

Vol 32 (5) ◽

pp. 851-865 ◽

Cited By ~ 3

Author(s):

Helio Bonacorso ◽

Marcos Martins ◽

Nilo Zanatta ◽

Marli Oliveira ◽

Alexandre Wentz ◽

...

Keyword(s):

Molecular Structure ◽

Nmr Spectroscopy ◽

X Ray Diffraction ◽

Mo Calculations ◽

X Ray ◽

Semiempirical Mo Calculations

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Phospholipase A2 neurotoxins from snake venoms: structure, function and mode of action of crotoxin

European Journal of Pharmacology ◽

10.1016/0014-2999(90)92413-d ◽

1990 ◽

Vol 183 (5) ◽

pp. 2049

Author(s):

F. Bon ◽

C. Bouchier ◽

V. Choumet ◽

E. Délot ◽

G. Faure ◽

...

Keyword(s):

Phospholipase A2 ◽

Structure Function ◽

Mode Of Action ◽

Snake Venoms

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Molecular Structure of Heterocycles:3. Semiempirical MO Calculations and Karplus-Type Dihedral Angle Dependence for the Coupling Constant Relationship of Some 4,5-Dihydro-5-Hydroxy- 5(3)-Halomethylisoxazoles

Spectroscopy Letters ◽

10.1080/00387019808002755 ◽

1998 ◽

Vol 31 (3) ◽

pp. 621-631 ◽

Cited By ~ 6

Author(s):

Marcos A. P. Martins ◽

Alana N. Zoch ◽

Nilo Zanatta ◽

Alex F. C. Flores

Keyword(s):

Molecular Structure ◽

Dihedral Angle ◽

Coupling Constant ◽

Mo Calculations ◽

Angle Dependence ◽

Semiempirical Mo Calculations ◽

Relationship Of

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Application of semiempirical MO calculations to the interaction of hydrocarbons with zeolites

Journal of Molecular Structure ◽

10.1016/0022-2860(86)85254-1 ◽

1986 ◽

Vol 143 ◽

pp. 267-270 ◽

Cited By ~ 6

Author(s):

H. Förster ◽

M. Grodzicki ◽

O. Zakharieva-Pencheva

Keyword(s):

Mo Calculations ◽

Semiempirical Mo Calculations

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Regiochemistry of the Condensation of 2-Aroyl-cyclohexanones and 2-Cyanoacetamide: 13C-Labeling Studies and Semiempirical MO Calculations

The Journal of Organic Chemistry ◽

10.1021/jo301138w ◽

2012 ◽

Vol 77 (17) ◽

pp. 7355-7363 ◽

Cited By ~ 3

Author(s):

Oscar P. J. van Linden ◽

Maikel Wijtmans ◽

Luc Roumen ◽

Lonneke Rotteveel ◽

Rob Leurs ◽

...

Keyword(s):

Mo Calculations ◽

13C Labeling ◽

Semiempirical Mo Calculations

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