期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 12, 期 17, 页码 4431-4434出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b923012b
关键词
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资金
- NSFC [20933006, 50721091, 20873129]
- MOE [FANEDD-2007B23, NCET-08-0521]
- National Key Basic Research Program [2006CB922004]
- USTC-SCC
- SCCAS
- Shanghai Supercomputer Center
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.
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