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Showing 1 to 5 of 5 for “"Torsional angles"”.
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Measurements of segmental order parameters and torsional angles in solid state nuclear magnetic resonance
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1998.
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Molecular modelling of the Streptococcus pneumoniae serogroup 6 capsular polysaccharide antigens
… PMFs showed the free energy profiles along the torsional angles space of the disaccharides. This conformational information was then used to build the four oligosaccharides on which simulations were conducted. These simulations showed that serotype pairs 6A/6C and 6B/6D have similar structures.
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Random search conformational analysis of piperazine and piperadine analogs of GBR12909 : implicit aqueous solvation effects
… on the location of minima in multi-dimensional torsional angle space was studied by comparison to the vacuum phase results. Minima were plotted in torsional angle space using successive pairs of torsional angles. The results showed that, at least for the simple implicit solvent model used here, …
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Improved Constrained Global Optimization for Estimating Molecular Structure From Atomic Distances
… handling non-distance information including torsional angles and molecular surface data. In specific, we propose a method for using distances to effectively satisfy known torsional information and show that use of this method results in a significant improvement in the quality of α-helices …
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The synthesis and chemistry of the cyclophanenes and their metal complexes
… (1.345A) has a cis geometry but with very large torsional angles: 24.7° for C-C=C-C and 41.6° for H-C=C-H. The bridge chemistry of cyclophanenes 56 and their metal complexes was investigated through some selected reactions. It was found that the cyclophanenes 56 were easily oxidized in attempted …