DEPENDENCE OF HOMO–LUMO GAP OF DNA BASE PAIR STEPS ON TWIST ANGLE: A DENSITY FUNCTIONAL APPROACH

DOI10.1142/S021833901850002XzbMath1410.81035OpenAlexW2788238423MaRDI QIDQ4628887

Devanathan Raghunathan, Sudipta Samanta, Sanchita Mukherjee, Biplab Sanyal

Publication date: 25 March 2019

Published in: Journal of Biological Systems (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1142/s021833901850002x

zbMATH Keywords

density of statesHOMO-LUMO gapDFT calculationDNA base pair stepstacking energy

Mathematics Subject Classification ID

Protein sequences, DNA sequences (92D20) Spinor and twistor methods applied to problems in quantum theory (81R25) Applications of functional analysis in quantum physics (46N50) Molecular physics (81V55)

Uses Software

• VASP

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