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- W2113089013 endingPage "2394" @default.
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- W2113089013 abstract "We present a systematic study of B-DNA flexibility in aqueous solution using long-scale molecular dynamics simulations with the two more recent versions of nucleic acids force fields (CHARMM27 and parmbsc0) using four long duplexes designed to contain several copies of each individual base pair step. Our study highlights some differences between pambsc0 and CHARMM27 families of simulations, but also extensive agreement in the representation of DNA flexibility. We also performed additional simulations with the older AMBER force fields parm94 and parm99, corrected for non-canonical backbone flips. Taken together, the results allow us to draw for the first time a consensus molecular dynamics picture of B-DNA flexibility." @default.
- W2113089013 created "2016-06-24" @default.
- W2113089013 creator A5004287173 @default.
- W2113089013 creator A5006399866 @default.
- W2113089013 creator A5058817123 @default.
- W2113089013 creator A5063704705 @default.
- W2113089013 date "2008-02-24" @default.
- W2113089013 modified "2023-10-15" @default.
- W2113089013 title "Towards a molecular dynamics consensus view of B-DNA flexibility" @default.
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