Conformational analysis of 2-phosphoryl and 2-thiophosphoryl 1,3-heteroanes by molecular mechanics calculations. A question of the origin of the anomeric effect

1989 ◽  
Vol 54 (12) ◽  
pp. 2859-2861 ◽  
Author(s):  
Marian Mikolajczyk ◽  
Piotr Graczyk ◽  
M. I. Kabachnik ◽  
A. P. Baranov
Keyword(s):  
Conformational Analysis ◽  
Molecular Mechanics ◽  
Anomeric Effect ◽  
Molecular Mechanics Calculations

Conformational Analysis of C‐Trehaloses Using Molecular Mechanics Calculations

2003 ◽  
Vol 22 (6) ◽  
pp. 407-421 ◽  
Author(s):  
Emmanuel Mikros ◽  
George Labrinidis ◽  
Serge Pérez
Keyword(s):  
Conformational Analysis ◽  
Molecular Mechanics ◽  
Molecular Mechanics Calculations

scholarly journals Conformational Analysis in 18-Membered Macrolactones Based on Molecular Modeling

2011 ◽  
Vol 2011 ◽  
pp. 1-5 ◽  
Author(s):  
Salah Belaidi ◽  
Dalal Harkati
Keyword(s):  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Conformational Analysis ◽  
Molecular Mechanics ◽  
Conformational Flexibility ◽  
Molecular Mechanics Calculations

Conformational analysis of 18-ring membered macrolactones has been carried out using molecular mechanics calculations and molecular dynamics. A high conformational flexibility of macrolactones was obtained, and an important stereoselectivity was observed for the complexed macrolides. For 18d macrolactone, which was presented by a most favored conformer with 20.1% without complex, it was populated with 50.1% in presence of Fe(CO)3.

Application op vicinal carbon-proton coupling constants and molecular mechanics calculations in the conformational analysis of dioxolane rings

Tetrahedron ◽  
1988 ◽  
Vol 44 (5) ◽  
pp. 1441-1447 ◽  
Author(s):  
Jesus Jimenez-Barbero ◽  
Manuel Bernabe ◽  
Manuel Martin-Lomas
Keyword(s):  
Conformational Analysis ◽  
Molecular Mechanics ◽  
Coupling Constants ◽  
Molecular Mechanics Calculations ◽  
Proton Coupling

Conformational analysis of 9,10-dihydroanthracenes. Molecular mechanics calculations and carbon-13 NMR

1986 ◽  
Vol 108 (26) ◽  
pp. 8130-8134 ◽  
Author(s):  
Peter W. Rabideau ◽  
Jennifer L. Mooney ◽  
Kenny B. Lipkowitz
Keyword(s):  
Conformational Analysis ◽  
Molecular Mechanics ◽  
Molecular Mechanics Calculations

Conformational analysis of the sea anemone and sea pansies neuropeptide Antho-RFamide (Glu1-Gly2-Arg3-Phe4-NH2) by molecular-mechanics calculations

1997 ◽  
Vol 19 (6) ◽  
pp. 827-833
Author(s):  
L. Demir ◽  
N. Sefteroğlu ◽  
G. Budak ◽  
A. Karabulut ◽  
Y. Sahin
Keyword(s):  
Conformational Analysis ◽  
Molecular Mechanics ◽  
Sea Anemone ◽  
Molecular Mechanics Calculations
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