The conformational flexibility of nucleic acid bases paired in gas phase: a Car-Parrinello molecular dynamics study.

Abstract

The flexibilities of pyrimidine and imidazole rings in the paired nucleobases are investigated using Car-Parrinello molecular dynamics simulation in gas phase. The pairing influence on the stiffness of rings is analyzed based on the molecular structure of the nucleobases and constraints caused by pairing. We prove that the flexibilities of pyrimidine rings… (More)
DOI: 10.1063/1.4720352

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