Monte Carlo simulation of hydration of the guanine-uracil pairs with guanine in two tautomeric forms: contribution of water bridging to relative stability of mispairs. |
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| Authors: | V I Poltev A V Teplukhin J S Kwiatkowski |
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| Institution: | Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Moscow Region. |
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| Abstract: | Results are presented from Monte Carlo simulation of hydration of guanine-uracil mispairs by 25 and 50 water molecules. The hydration shells of three mispairs formed between "normal" dioxo form of uracil (U) and three forms of guanine ("normal" amino-oxo tautomer G and two rotamers of the "rare" amino-hydroxy tautomer G*) depend on the tautomeric forms of the guanine molecule. The simulation shows the important role of hydration effects on the relative stability of the mispairs. |
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