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@ARTICLE{Rossetti:280467,
      author       = {Rossetti, G. and Dans, P. D. and Gomez-Pinto, I. and Ivani,
                      I. and Gonzalez, C. and Orozco, M.},
      title        = {{T}he structural impact of {DNA} mismatches},
      journal      = {Nucleic acids symposium series},
      volume       = {43},
      number       = {8},
      issn         = {1362-4962},
      address      = {Oxford},
      publisher    = {Oxford Univ. Press69994},
      reportid     = {FZJ-2016-00241},
      pages        = {4309 - 4321},
      year         = {2015},
      abstract     = {The structure and dynamics of all the transversion and
                      transition mismatches in three different DNA environments
                      have been characterized by molecular dynamics simulations
                      and NMR spectroscopy. We found that the presence of
                      mismatches produced significant local structural
                      alterations, especially in the case of purine transversions.
                      Mismatched pairs often show promiscuous hydrogen bonding
                      patterns, which interchange among each other in the
                      nanosecond time scale. This therefore defines flexible base
                      pairs, where breathing is frequent, and where distortions in
                      helical parameters are strong, resulting in significant
                      alterations in groove dimension. Even if the DNA structure
                      is plastic enough to absorb the structural impact of the
                      mismatch, local structural changes can be propagated far
                      from the mismatch site, following the expected
                      through-backbone and a previously unknown through-space
                      mechanism. The structural changes related to the presence of
                      mismatches help to understand the different susceptibility
                      of mismatches to the action of repairing proteins.},
      cin          = {JSC / IAS-5 / INM-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JSC-20090406 / I:(DE-Juel1)IAS-5-20120330 /
                      I:(DE-Juel1)INM-9-20140121},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511)},
      pid          = {G:(DE-HGF)POF3-511},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000355317200042},
      doi          = {10.1093/nar/gkv254},
      url          = {https://juser.fz-juelich.de/record/280467},
}