Published July 22, 2023 | Version v3
Journal article Open

Molecular insight into how the position of an abasic site and its sequence environment influence DNA duplex stability and dynamics

Creators

  • 1. University of Chicago

Description

Free-energy profiles and Markov state model relaxation data from 3SPN.2 molecular dynamics simulations. Experimental FTIR, NMR, 2D IR temperature series. Time and rate-domain temperature-jump IR data. 

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Experimental data.zip

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Additional details

Funding

National Institutes of Health
The Dynamics of Molecular Recognition by Proteins from 2D IR Spectroscopy and MD Simulations 1R01GM118774-01
U.S. National Science Foundation
Fluorescence-Encoded Infrared Spectroscopy for Single-Molecule Chemical Dynamics 2155027
U.S. National Science Foundation
Latent Space Simulators for the Efficient Estimation of Long-time Molecular Thermodynamics and Kinetics 2152521