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17 June 1993 Molecular dynamics simulation of cytidine: 2'-deoxycytidine and their phosphate salts in a water solution
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Proceedings Volume 1921, Laser Spectroscopy of Biomolecules; (1993) https://doi.org/10.1117/12.146147
Event: Laser Spectroscopy of Biomolecules: 4th International Conference on Laser Applications in Life Sciences, 1992, Jyvaskyla, Finland
Abstract
To provide an insight how this only one more (or less) hydration site influences the pattern of hydration of this nucleic acid building blocks, computer simulation studies have been undertaken. The objectives of the molecular dynamics (MD) simulation studies of Cyd, dCyd and their phosphate salts in aqueous solutions were: 1. to compare the hydration pattern of the studied compounds in the ribo and deoxyribo series at the level of microscopic interactions, 2. to study intermolecular interactions in these molecular systems, 3. to explain the unexpectedly big difference in solubiity between the studied compounds in the ribo and deoxyribo series.
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K. Kulinska and A. Laaksonen "Molecular dynamics simulation of cytidine: 2'-deoxycytidine and their phosphate salts in a water solution", Proc. SPIE 1921, Laser Spectroscopy of Biomolecules, (17 June 1993); https://doi.org/10.1117/12.146147
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