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• W2065482241 endingPage "537" @default.
• W2065482241 startingPage "513" @default.
• W2065482241 abstract "Abstract We have calculated the deoxyribose sugar energy for a wide range of puckering parameters, (q, W), using different force fields. The intra-ring bond lengths, bond angles, and dihedral angles are calculated for every energy minimized structure and compared with 224 sugar ring structures available from DNA single crystal x-ray data. A modified Weiner's force field yields an excellent agreement with x-ray data. The calculated energy surface shows a variable amplitude repuckering path, with an average distortion of 0.42 Å. Most of the experimental values of (q, W) fall within 1.0 Kcal/mol from the calculated minimum." @default.
• W2065482241 created "2016-06-24" @default.
• W2065482241 creator A5047487028 @default.
• W2065482241 creator A5073530333 @default.
• W2065482241 date "1987-12-01" @default.
• W2065482241 modified "2023-09-27" @default.
• W2065482241 title "Agreement between Single Crystal X-Ray and Molecular Mechanical Sugar Ring Conformations" @default.
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• W2065482241 doi "https://doi.org/10.1080/07391102.1987.10506411" @default.
• W2065482241 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/3271484" @default.
• W2065482241 hasPublicationYear "1987" @default.
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