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Molecular Conformation of Inosine
Nature, 1969INOSINE is one of the rare nucleosides found in nucleic acids. It occurs especially in transfer ribonucleic acid where it appears to form part of a number of anticodons1,2. It can form a base pair with any one of the bases adenine, uracil or cytidine in the third codon1,2 position, and the possibility of atypical base pairs is part of the “wobble ...
P, Tollin, A R, Munns
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Molecular Conformation of GABA
Nature New Biology, 1971CURTIS et al.1,2 have described evidence suggesting that the alkaloid bicuculline is a specific antagonist to the action of γ-aminobutyric acid (GABA), a possible inhibitory transmitter in the mammalian brain3,4. By considering structural models, they suggested3 as a stereochemical basis for this antagonism a geometrical configuration in which the N ...
E G, Steward +4 more
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Molecular Conformation of Deoxyuridine
Nature, 1971THE structure determination of deoxyuridine was undertaken as part of a series of conformational studies of nucleic acid components. Such studies give information about the preferred conformation of nucleosides and nucleotides1,2, and may clarify the conformational differences and changes that occur in nucleic acids.
A, Rahman, H R, Wilson
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Molecular Conformation and Crystallization: The Case of Ethenzamide
Crystal Growth & Design, 2012Ethenzamide 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. +4 more
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Molecular conformation of prostaglandin A1
Prostaglandins, 1973Abstract The crystal and molecular structure of prostaglandin A1 (PGA1) has been determined by X-ray diffraction. (Space group P212121, a = 18.10 A A , b = 21.09 A A , c = 5.42, Z = 4) . Comparison of the structure of PGA1 with that of PGF1β (determined previously as the tribromobenzoate) indicates significant ...
W L, Duax, J W, Edmonds
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Molecular Conformations of 5-Iodouridine
Nature, 1970THE structure of unusual nucleic acid components is of importance in relation to conformational and model building studies on nucleic acids in general and those concerning tRNA in particular. In the case of 5-iodouridine (Fig. 1) it is particularly desirable to know the crystal structure in order to compare the effects of ionizing radiation on single ...
A, Rahman, H R, Wilson
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Molecular Structure and Conformation of Dinitrosylheme
Journal of the American Chemical Society, 2003DFT 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 +2 more
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Molecular conformation of L-DOPA
Biochemical and Biophysical Research Communications, 1970Abstract The structure of L-DOPA, a biological precursor of melanins has been determined by a new systematic analysis of the Patterson function. Its molecular conformation is different from that so far reported for any aromatic aminoacid, peptide or related compound.
J W, Becker +2 more
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Sampling of molecular conformations by molecular dynamics techniques
Molecular Physics, 1993In this paper we compare two different sampling methods for probing the distribution of conformations of a flexible molecule. The first method makes use of a form of umbrella sampling which effectively enhances the crossing of energy barriers. The second method, the so-called blue moon ensemble, is based on the use of an holonomic constraint which ...
Ciccotti, Giovanni +3 more
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