Molecular recognition using bioorganometallic probes: NMR, x-ray crystallographic, and molecular modeling study of the conformations of chromium tricarbonyl derivatives of hexestrol and their relevance to estradiol-receptor binding

1992 ◽  
Vol 11 (12) ◽  
pp. 4061-4068 ◽  
Author(s):  
Gerard Jaouen ◽  
Siden Top ◽  
Anne Vessieres ◽  
Brian G. Sayer ◽  
Christopher S. Frampton ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Molecular Recognition ◽  
Receptor Binding ◽  
Chromium Tricarbonyl ◽  
X Ray ◽  
Estradiol Receptor ◽  
Molecular Modeling Study ◽  
Derivatives Of ◽  
Modeling Study

Carbonic Anhydrase Inhibitors:  X-ray and Molecular Modeling Study for the Interaction of a Fluorescent Antitumor Sulfonamide with Isozyme II and IX

2006 ◽  
Vol 128 (25) ◽  
pp. 8329-8335 ◽  
Author(s):  
Vincenzo Alterio ◽  
Rosa Maria Vitale ◽  
Simona Maria Monti ◽  
Carlo Pedone ◽  
Andrea Scozzafava ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Carbonic Anhydrase ◽  
Carbonic Anhydrase Inhibitors ◽  
X Ray ◽  
Molecular Modeling Study ◽  
Modeling Study

Conformational equilibria and barriers to rotation in some novel nitroso derivatives of indolizines and 3- and 5-azaindolizines – an NMR and molecular modeling study

2010 ◽  
Vol 8 (15) ◽  
pp. 3518 ◽  
Author(s):  
Ion Ghiviriga ◽  
Bahaa El-Dien M. El-Gendy ◽  
Henry Martinez ◽  
Dmytro Fedoseyenko ◽  
Eric P. Metais ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Molecular Modeling Study ◽  
Conformational Equilibria ◽  
Derivatives Of ◽  
Modeling Study

Prediction of the Coordination Scheme of Lanthanide N-Tetrasubstituted Tetraazamacrocycles:  An X-ray Crystallography and Molecular Modeling Study

1997 ◽  
Vol 36 (18) ◽  
pp. 3827-3838 ◽  
Author(s):  
Claude Lecomte ◽  
Valérie Dahaoui-Gindrey ◽  
Hervé Chollet ◽  
Claude Gros ◽  
Anil K. Mishra ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
X Ray ◽  
X Ray Crystallography ◽  
Coordination Scheme ◽  
Molecular Modeling Study ◽  
Modeling Study

X-ray Crystal Structure, Partitioning Behavior, and Molecular Modeling Study of Piracetam-Type Nootropics: Insights into the Pharmacophore

1995 ◽  
Vol 38 (1) ◽  
pp. 170-179 ◽  
Author(s):  
Cosimo Altomare ◽  
Saverio Cellamare ◽  
Angelo Carotti ◽  
Giovanni Casini ◽  
Marcello Ferappi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Molecular Modeling ◽  
X Ray ◽  
Molecular Modeling Study ◽  
Partitioning Behavior ◽  
Modeling Study
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