Results 311 to 320 of about 766,908 (329)

A molecular orbital study of the conformation of formycin

Journal of Theoretical Biology, 1974
Abstract 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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Conformational analysis of levanbiose by molecular mechanics

Carbohydrate Research, 1992
A 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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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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Immunochemical determination of the molecular conformation of nucleotides

Immunochemistry, 1972
Abstract Rabbit gamma globulin anti-adenosine monophosphate-egg albumin (AMP-EA) was used to study the molecular conformation of nucleotides such as adenosine triphosphate (ATP) or adenosine diphosphate (ADP). The study was done uisng AMP, ADP, and ATP, under different conditions, to inhibit the precipitin reaction between AMP-human serum albumin ...
S, Estrada-Parra, E, García-Ortigoza
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Molecular conformation and packing in collagen fibrils

Journal of Molecular Biology, 1983
New X-ray diffraction data have been collected from specimens of tendon collagen stained with phosphotungstic acid. Measurements of the positions of the Bragg reflections associated with the crystalline lattice provide, for the first time, a complete description of the unit cell. A strong band of intensity in the molecular transform associated with the
R D, Fraser, T P, MacRae, A, Miller, E, Suzuki   +3 more
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A Molecular Orbital probe into the conformation of ATP

Biochemical and Biophysical Research Communications, 1972
Abstract Molecular Orbital (PCILO) calculations indicate that the free ATP molecule has an intrinsic tendancy to adopt a folded conformation.
D, Perahia, B, Pullman, A, Saran
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On Updating Torsion Angles of Molecular Conformations

Journal of Chemical Information and Modeling, 2005
A 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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Molecular conformation of prostaglandin E2

Prostaglandins, 1974
J W, Edmonds, W L, Duax
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Molecular Conformations

Science, 1995
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The prediction of molecular conformation

Biochemical Society Transactions, 1982
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