Results 301 to 310 of about 770,458 (344)

Molecular Conformation and Crystallization: The Case of Ethenzamide

Crystal Growth & Design, 2012
Ethenzamide is a small, conformationally labile pharmaceutical molecule which crystallizes in an unusual conformation relative to both its co-crystals and to similar molecules found in the Cambridge Structural Database. Relative to its co-crystals, large ethenzamide crystals are challenging to grow, a property which may be linked to the crystal ...
Back, Kevin R., Davey, Roger J., Grecu, Tudor, Hunter, Christopher A., Taylor, Lynne S.   +4 more
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Molecular Conformation of Benzylideneanilines

Helvetica Chimica Acta, 1971
AbstractThe non‐planar conformations of benzylideneanilines and the almost planar conformations of stilbene and azobenzene are consistently reproduced by a simple model, which takes into account the dependence of π‐electron energy and non‐bonded interactions on molecular conformation. Other aspects of the molecular geometry of benzylideneanilines.(bond
H. B. Bürgi, J. D. Dunitz
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Singularities in Molecular Conformation

Crystal Growth & Design, 2015
The intramolecular coupling between molecular groups leads to singularities in the molecular conformation, acting like a switch in a molecular-scale rotor. This, in turn, affects the potential-energy (Ep) barriers, acquiring a sharp shape originating from superimposed Ep functions of the molecular conformers with differently coupled methyl groups.
Szymon Sobczak, Andrzej Katrusiak
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Molecular conformation of cyclenes

Journal of Molecular Structure, 1979
Abstract The strain energy of the most probable conformers of 1,3,6-cyclononatriene and 1,3,6-cyclodecatriene, which are asymmetrical compounds, has been calculated as a function of various geometrical parameters by means of the semiempirical Hendrickson's treatment, partially modified.
Giuseppe Buemi, Attanasio Nicolosi, Felice Zuccarello, Domenico Grasso   +3 more
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Molecular conformations of methotrexate

Journal of Molecular Structure: THEOCHEM, 1989
Abstract The molecular conformations of methotrexate were studied in detail by force field techniques.
Camillo Tosi, Roberto Fusco, Luciano Caccianotti   +2 more
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Sialyldisaccharide conformations: a molecular dynamics perspective

Journal of Computer-Aided Molecular Design, 2012
Sialyldisaccharides are significant terminal components of glycoconjugates and their negative charge and conformation are extensively utilized in molecular recognition processes. The conformation and flexibility of four biologically important sialyldisaccharides [Neu5Acα(2-3)Gal, Neu5Acα(2-6)Gal, Neu5Acα(2-8)Neu5Ac and Neu5Acα(2-9)Neu5Ac] are studied ...
Jeyasigamani F A, Selvin, Thanu R K, Priyadarzini, Kasinadar, Veluraja   +2 more
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Molecular Structure and Conformation of Dinitrosylheme

Journal of the American Chemical Society, 2003
DFT calculations indicate a surprisingly strong cis orientational preference of the two NO ligands of dinitrosylheme, a unique reactive species of potential biological relevance that has been recently generated and spectroscopically characterized at low temperature.
Jeanet, Conradie, Tebikie, Wondimagegn, Abhik, Ghosh   +2 more
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Molecular conformation of deoxyguanosine 5′-phosphate

Nature, 1974
THE allowed conformations of nucleic acids depend on the flexibility of the structure of the nucleotides from which they are constructed. Many X-ray crystallographic studies of the degree of flexibility of these structures have shown that nucleosides exhibit a larger number of preferred conformations than nucleotides, and this led Sundaralingam1 to ...
D W, Young, P, Tollin, M R, Wilson
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Molecular Conformations of Chondroitin-4-sulphate

Nature New Biology, 1973
CHONDROITIN-4-SULPHATE is a member of the connective tissue group of polysaccharides and occurs mainly in cartilage. The molecular chains are covalently linked to a protein core and act as a flexible connecting matrix between the tough protein filaments1–3.
D H, Isaac, E D, Atkins
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Molecular Size and Conformation of Immunoglobulins

1970
Publisher Summary This chapter reviews studies on the higher levels of organization in immunoglobulin molecules such as their size and shape as well as the more intimate aspects of their internal folding. One of the most exciting problems in molecular biology is the elucidation of the relationship between the biological properties of immunoglobulins ...
K J, Dorrington, C, Tanford
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