CONFORMATIONAL CALCULATIONS ON GASTRIN C-TERMINAL TETRAPEPTIDE

The molecular surfaces of five different sandalwood odour molecules were investigated and subsequently used as a basis for a mean surface and compared to each other. It was possible to find a specific surface part with a significant pattern, which seems to be necessary for evoking the typical odour.

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Conformational calculations on poly(di-n-hexylsilane)

Macromolecules ◽

10.1021/ma00171a052 ◽

1987 ◽

Vol 20 (5) ◽

pp. 1167-1169 ◽

Cited By ~ 33

Author(s):

B. L. Farmer ◽

J. F. Rabolt ◽

R. D. Miller

Keyword(s):

Conformational Calculations

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(4R)-4-Hydroxy-1-nitroso-l-proline: synthesis, X-ray structure, ab initio and conformational calculations

Tetrahedron ◽

10.1016/j.tet.2006.06.097 ◽

2006 ◽

Vol 62 (37) ◽

pp. 8779-8786 ◽

Cited By ~ 2

Author(s):

Marina S. Fonari ◽

Yurii M. Chumakov ◽

Gheorghe G. Duca ◽

Eduard V. Ganin ◽

Arkadii A. Yavolovskii ◽

...

Keyword(s):

Ab Initio ◽

X Ray ◽

Conformational Calculations

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Distance geometry and conformational calculations, G. M. Crippen. Research Studies Press, Chichester, New York, 1981, 58 pp.

Journal of Computational Chemistry ◽

10.1002/jcc.540030420 ◽

1982 ◽

Vol 3 (4) ◽

pp. 603-603 ◽

Cited By ~ 2

Author(s):

David H. Wertz

Keyword(s):

New York ◽

Distance Geometry ◽

Conformational Calculations ◽

Research Studies

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Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V

Journal of Computer-Aided Molecular Design ◽

10.1007/bf00126216 ◽

1992 ◽

Vol 6 (6) ◽

pp. 583-592 ◽

Cited By ~ 14

Author(s):

Gerhard Buchbauer ◽

Susanne Winiwarter ◽

Peter Wolschann

Keyword(s):

Sandalwood Odour ◽

Conformational Calculations

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Purine Nucleoside Analogues. 11. An Alternative Synthesis of N- and O-Alkyl Derivatives of 9- and 7-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19990685 ◽

1999 ◽

Vol 64 (4) ◽

pp. 685-695 ◽

Cited By ~ 3

Author(s):

Marina Madre ◽

Natella Panchenko ◽

Alexander Golbraikh ◽

Regina Zhuk ◽

Upendra K. Pandit ◽

...

Keyword(s):

Nmr Spectra ◽

Room Temperature ◽

Purine Nucleoside ◽

Nucleoside Analogues ◽

Alternative Synthesis ◽

Restricted Rotation ◽

H Nmr ◽

Alkyl Derivatives ◽

Derivatives Of ◽

Conformational Calculations

Alkylations of 9- and 7-[(2-acetoxyethoxy)methyl]-N2-acetylguanine with alkyl halogenides in the presence of base have been investigated affording a new route to the preparation of 1,N2-dimethyl- as well as O6-benzyl-9(7)-alkoxyalkylguanines. 1H NMR spectra revealed that the 1,N2-dimethyl derivatives exist as mixtures of two conformers at room temperature due to the restricted rotation about the C2-N2 bond. These findings agreed with conformational calculations.

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