Theoretical Modeling of the Vibrational Spectroscopy of Nucleic Acids

Project Details

Description

PROJECT NARRATIVE Linear and ultrafast vibrational spectroscopy provides a powerful tool to unravel the fundamental principles that govern the hybridization of nucleic acids, which is essential to a molecular-level understanding of how DNA and RNA transmit and faithfully maintain the integrity of genetic information. The proposed research will provide a novel theoretical framework for the calculation of linear and non-linear vibrational spectra of nucleic acids directly from MD simulations. Combining atomistic MD simulations and theoretical spectroscopy modeling, the proposed research will establish a structure-spectrum relation and elucidate the mechanism and key interactions in the hybridization of nucleic acids.
StatusFinished
Effective start/end date2/1/191/31/23

Funding

  • National Institute of General Medical Sciences: $138,302.00
  • National Institute of General Medical Sciences: $146,499.00
  • National Institute of General Medical Sciences: $151,365.00
  • National Institute of General Medical Sciences: $137,240.00

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