QuantumDNA packages LCAO-derived tight-binding parameters with Lindblad master equations to simulate DNA charge dynamics, reproducing known results and yielding preliminary exciton-lifetime maps for TERT promoter mutations.
Simserides, A systematic study of electron or hole transfer along DNA dimers, trimers and polymers, Chemical Physics 440 (2014) 31–41
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QuantumDNA: A Python Package for Analyzing Quantum Charge Dynamics in DNA and Exploring Its Biological Relevance
QuantumDNA packages LCAO-derived tight-binding parameters with Lindblad master equations to simulate DNA charge dynamics, reproducing known results and yielding preliminary exciton-lifetime maps for TERT promoter mutations.