Parcourir par sujet "Models, Chemical"
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Determination of the number of water molecules in the proton pathway of bacteriorhodopsin using neutron diffraction data
(2003)It has been shown that water molecules participate in the proton pathway of bacteriorhodopsin. Large efforts have been made to determine with various biophysical methods the number of water molecules involved. Neutron ... -
New short route to unsaturated fluoroketonucleosides: Case of 5-fluoro-1-(6-0-acetyl-3,4-di-deoxy-3-fluoro-β-D-glycero-hex-3-eno-pyranos- 2-ulosyl) uracil
(2005)The proposed short synthesis involves two key steps: Oxidation of the isopropylidene derivative of the 3-fluoronucleoside possessing a free hydroxyl group in 2-position and acetylation of deprotected 3-fluoro-2-ketonucleoside ... -
Similarity search of flexible 3d molecules combining local and global shape descriptors
(2016)In this paper, a framework for shape-based similarity search of 3D molecular structures is presented. The proposed framework exploits simultaneously the discriminative capabilities of a global, a local, and a hybrid ...