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Condon DE, Kennedy SD, Mort BC, et al. Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics. J Chem Theory Comput. 2015;11(6):2729-2742doi: 10.1021/ct501025q.
Condon, D. E., Kennedy, S. D., Mort, B. C., Kierzek, R., Yildirim, I., & Turner, D. H. (2015). Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics. Journal of chemical theory and computation, 11(6), 2729-2742. https://doi.org/10.1021/ct501025q
Condon, David E, et al. "Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics." Journal of chemical theory and computation vol. 11,6 (2015): 2729-2742. doi: https://doi.org/10.1021/ct501025q
Condon DE, Kennedy SD, Mort BC, Kierzek R, Yildirim I, Turner DH. Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics. J Chem Theory Comput. 2015 Jun 09;11(6):2729-2742. doi: 10.1021/ct501025q. Epub 2015 Apr 16. PMID: 26082675; PMCID: PMC4463549.
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J Chem Theory Comput. 2015 Jun 09;11(6):2729-2742. doi: 10.1021/ct501025q. Epub 2015 Apr 16.

Stacking in RNA: NMR of Four Tetramers Benchmark Molecular Dynamics.

Journal of chemical theory and computation

David E Condon, Scott D Kennedy, Brendan C Mort, Ryszard Kierzek, Ilyas Yildirim, Douglas H Turner

Affiliations

  1. Department of Chemistry, University of Rochester , Rochester, New York 14627, United States.
  2. Department of Biochemistry and Biophysics, University of Rochester , Rochester, New York 14642, United States.
  3. University of Rochester Center for Integrated Research Computing , Rochester, New York 14627, United States.
  4. Institute of Bioorganic Chemistry, Polish Academy of Sciences , 60-704 Poznan, Poland.
  5. Department of Chemistry, University of Rochester , Rochester, New York 14627, United States ; Department of Chemistry, Northwestern University , Evanston, Illinois 60208, United States.

PMID: 26082675 PMCID: PMC4463549 DOI: 10.1021/ct501025q

Abstract

Molecular dynamics (MD) simulations for RNA tetramers r(AAAA), r(CAAU), r(GACC), and r(UUUU) are benchmarked against

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