Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage

One-Sun Lee, George C. Schatz

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular dynamics methods have been used to study the conformation of ds-DNA on a gold surface for low surface coverage at the atomistic level. Each ds-DNA strand, which is attached to the [111] surface of gold with a -S(CH 2)6- linker, is found to be nearly perpendicular to the surface and maintaining the Watson-Crick B-DNA conformation. The tilt angle between the ds-DNA and an axis normal to the gold surface is 7.3 ± 2.2°. The concentration of counterions around the ds-DNA is increased by a factor of 1.8 relative to the bulk, which is significantly lower than in our previous simulations of ds-DNA at high surface coverage.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium Proceedings
Pages55-61
Number of pages7
Volume1177
Publication statusPublished - 1 Dec 2009
Externally publishedYes
Event2009 MRS Spring Meeting - San Francisco, CA, United States
Duration: 13 Apr 200917 Apr 2009

Other

Other2009 MRS Spring Meeting
CountryUnited States
CitySan Francisco, CA
Period13/4/0917/4/09

Fingerprint

Gold
Molecular dynamics
DNA
deoxyribonucleic acid
gold
molecular dynamics
Computer simulation
simulation
Conformations
B-Form DNA
strands
methylidyne

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering
  • Mechanics of Materials

Cite this

Lee, O-S., & Schatz, G. C. (2009). Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage. In Materials Research Society Symposium Proceedings (Vol. 1177, pp. 55-61)

Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage. / Lee, One-Sun; Schatz, George C.

Materials Research Society Symposium Proceedings. Vol. 1177 2009. p. 55-61.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Lee, O-S & Schatz, GC 2009, Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage. in Materials Research Society Symposium Proceedings. vol. 1177, pp. 55-61, 2009 MRS Spring Meeting, San Francisco, CA, United States, 13/4/09.
Lee O-S, Schatz GC. Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage. In Materials Research Society Symposium Proceedings. Vol. 1177. 2009. p. 55-61
Lee, One-Sun ; Schatz, George C. / Molecular dynamics simulation of ds-DNA on a gold surface at low surface coverage. Materials Research Society Symposium Proceedings. Vol. 1177 2009. pp. 55-61
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