On modeling biomolecularsurface nonbonded interactions: Application to nucleobase adsorption on single-wall carbon nanotube surfaces

Nanotechnology

Volumn 23, Issue 16, 2012, Pages

  Akdim, B ^a,b   Pachter, R ^a   Day, P N ^a,b   Kim, S S ^a,c   Naik, R R ^a  

^a AIR FORCE RESEARCH LABORATORY   (United States)

^b GENERAL DYNAMICS INFORMATION TECHNOLOGY   (United States)

^c UES INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; BASE PAIRS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DOUBLE HELIX; EFFECTIVE FRAGMENT POTENTIAL METHODS; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL DATA; GENOMIC DNA; GUANINE; MATERIAL SYSTEMS; MOLECULAR MODELS; NONBONDED INTERACTION; NUCLEOBASES; PARTIAL UNFOLDING; WATSON-CRICK BASE PAIRS;

CARBON NANOTUBES; MODEL STRUCTURES; MOLECULAR MODELING; OLIGONUCLEOTIDES;

ADSORPTION;

CARBON NANOTUBE; NUCLEIC ACID;

ADSORPTION; ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; MACROMOLECULE; PARTICLE SIZE; SURFACE PROPERTY; ULTRASTRUCTURE;

ADSORPTION; BINDING SITES; COMPUTER SIMULATION; MACROMOLECULAR SUBSTANCES; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOTUBES, CARBON; NUCLEIC ACIDS; PARTICLE SIZE; SURFACE PROPERTIES;

EID: 84859373009     PISSN: 09574484     EISSN: 13616528     Source Type: Journal    
DOI: 10.1088/0957-4484/23/16/165703     Document Type: Article

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