Results 221 to 230 of about 456,294 (265)
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Molecular Size and Conformation of Immunoglobulins
1970Publisher 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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Molecular Conformation of Benzylideneanilines
Helvetica Chimica Acta, 1971AbstractThe 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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Molecular conformation of cyclenes
Journal of Molecular Structure, 1979Abstract 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 +3 more
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THE MOLECULAR CONFORMATION OF TRIPHENYLARSINE
Canadian Journal of Chemistry, 1964not available
M. J. Aroney +2 more
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Singularities in Molecular Conformation
Crystal Growth & Design, 2015The 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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Conformational Molecular Rectifiers
Nano Letters, 2004Unimolecular rectification based on voltage-controlled intramolecular stereochemical modification is suggested and computationally investigated. In sharp contrast to present molecular rectifiers, these conformational molecular rectifiers (CMRs) differ in principle from silicon structures, deriving their large, strongly temperature-dependent ...
Alessandro Troisi, Mark A. Ratner
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Molecular conformations of methotrexate
Journal of Molecular Structure: THEOCHEM, 1989Abstract The molecular conformations of methotrexate were studied in detail by force field techniques.
Camillo Tosi +2 more
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On Updating Torsion Angles of Molecular Conformations
Journal of Chemical Information and Modeling, 2005A conformation of a molecule is defined by the relative positions of atoms and by the chirality of asymmetric atoms in the molecule. The three main representations for conformations of molecules are Cartesian coordinates, a distance geometry descriptor (which consists of a distance matrix and the signs of the volumes of quadruples of atoms), and ...
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Conformational analysis of levanbiose by molecular mechanics
Carbohydrate Research, 1992A relaxed conformational energy map for levanbiose, O-beta-D-fructofuranosyl-(2----6)-beta-D-fructofuranoside, was computed with the molecular mechanics program MM2(87). All torsion angles of the three linkage bonds were driven by 30 degrees increments while two primary alcohol groups were held at three staggered forms.
J, Liu, A L, Waterhouse
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A molecular orbital study of the conformation of formycin
Journal of Theoretical Biology, 1974Abstract Semiempirical quantum mechanical calculations, using the iterative extended Huckel theory, are carried out for the evaluation of conformational energies, dipole moment and net atomic charges as a function of the rotation about the glycosidic bond. Torsion about the C(4′)-C(5′) bond has also been considered. The energy diagrams for either the
D W, Miles, D L, Miles, H, Eyring
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