Physical Chemistry Chemical Physics 2010-05-07

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

Haiqing Liang, Zhenyu Li, Jinlong Yang

Index: Phys. Chem. Chem. Phys. 12(17) , 4431-4, (2010)

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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.