title: Single-stranded DNA adsorption on chiral molecule coated Au surface: a molecular dynamics study.
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.
authors.affiliation: Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, 230026, Anhui, China.
authors.forename: Haiqing
authors.initials: H
authors.lastname: Liang
authors.forename: Zhenyu
authors.initials: Z
authors.lastname: Li
authors.forename: Jinlong
authors.initials: J
authors.lastname: Yang
mesh_terms: D000327:Adsorption; D003545:Cysteine / Q000031:analogs & derivatives / Q000737:chemistry; D004277:DNA, Single-Stranded / Q000737:chemistry*; D006046:Gold / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D013237:Stereoisomerism; D013499:Surface Properties
chemical_list: D004277:DNA, Single-Stranded; C096972:N-isobutyrylcysteine; D006046:Gold; D003545:Cysteine