Single-stranded DNA adsorption on chiral molecule coated Au surface: a molecular dynamics study

Physical Chemistry Chemical Physics Pub Date: 2010-02-24 DOI: 10.1039/B923012B

Abstract

All-atomistic molecular dynamics simulations with explicit water solution are performed to investigate the interaction between single-stranded DNA (ssDNA) molecules and chiral N-isobutyryl-cysteine (NIBC) molecule coated Au surfaces. Different contributions to the force exerted on ssDNA are analyzed. It turns out that the experimentally observed stereospecific adsorption behavior of ssDNA on D/L-NIBC self-assembled monolayer surface mainly originates from the interaction between the dipole moment of NIBC and the negative charge carried by ssDNA.

Graphical abstract: Single-stranded DNA adsorption on chiral molecule coated Au surface: a molecular dynamics study
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