An improved DNA force field for ssDNA interactions with gold nanoparticles

Journal of Chemical Physics

Volumn 140, Issue 23, 2014, Pages

  Jiang, Xiankai ^a   Gao, Jun ^b   Huynh, Tien ^c   Huai, Ping ^a   Fan, Chunhai ^a   Zhou, Ruhong ^c   Song, Bo ^a  

^a SHANGHAI INSTITUTE OF APPLIED PHYSICS   (China)

^b SHANDONG UNIVERSITY   (China)

^c IBM T J WATSON RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTS; GOLD; METAL NANOPARTICLES; MOLECULAR DYNAMICS; QUANTUM THEORY;

DOUBLE HELIX STRUCTURE; DOUBLE-STRANDED DNA (DS-DNA); EXPERIMENTAL TECHNIQUES; GOLD NANOPARTICLES; LARGE-SCALE MOLECULAR DYNAMICS; MOLECULAR MECHANISM; SINGLE-STRANDED DNA; STANDARD FORCE FIELD;

DNA;

GOLD; METAL NANOPARTICLE; SINGLE STRANDED DNA;

ADSORPTION; CHEMICAL PHENOMENA; CHEMISTRY; MOLECULAR DYNAMICS;

ADSORPTION; DNA, SINGLE-STRANDED; GOLD; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; METAL NANOPARTICLES; MOLECULAR DYNAMICS SIMULATION;

EID: 84903172865     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4882657     Document Type: Article

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42. See supplementary material at http://dx.doi.org/10.1063/1.4882657 E-JCPSA6-140-037423 for the details of the way to prepare the initial conformations and all the MD trajectories under the improved force field.