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. Author manuscript; available in PMC: 2019 Apr 10.
Published in final edited form as: J Chem Theory Comput. 2018 Mar 6;14(4):2084–2108. doi: 10.1021/acs.jctc.7b01169

Figure 1.

Figure 1

Model compounds for nucleic acid force field development and definition of the torsion angles. (A) Nucleosides and the internal torsional angles. (B) (Deoxy)ribose 3,5-bis (methyl phosphate) and backbone torsional angles. χ is defined by O4′-C1′-N1-C2 for pyrimidines (C, T and U), and by O4′-C1′-N9-C4 for purines (A and G).