Adhesion of protein residues to substituted (111) diamond surfaces: An insight from density functional theory and classical molecular dynamics simulations

Journal of Biomedical Materials Research - Part A

Volumn 86, Issue 4, 2008, Pages 1113-1121

  Borisenko, Konstantin B ^a   Reavy, Helen J ^a   Zhao, Qi ^a   Abel, Eric W ^a  

^a UNIVERSITY OF DUNDEE   (United Kingdom)

Author keywords

Adhesion; Biocompatibility; Diamond; Diamond like carbon; Glycine; Molecular modeling; Peptide; Protein adsorption; Surface modification

Indexed keywords

ADSORPTION; AMINES; CHLORINE COMPOUNDS; COATINGS; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; DIAMONDS; DISCRETE FOURIER TRANSFORMS; DYNAMICS; FLOW INTERACTIONS; FREE ENERGY; IMPLANTS (SURGICAL); MOLECULAR DYNAMICS; NANOFLUIDICS; PEPTIDES; PROBABILITY DENSITY FUNCTION; PROTEINS; QUANTUM CHEMISTRY; SILICON; SURGICAL EQUIPMENT;

ADHESION ENERGIES; AMPHIPHILIC; B3LYP/6-31G; BIOCOMPATIBILITY; CLASSICAL MOLECULAR DYNAMICS; DIAMOND; DIAMOND COATINGS; DIAMOND SURFACES; DIAMOND-LIKE CARBON; DREIDING FORCE FIELD; ELECTROSTATIC INTERACTIONS; ENERGY DIFFERENCES; EXPLICIT WATER; GAS-PHASE; GLYCINE; INTER-MOLECULAR INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MODELING; N-DOPED; PARENT MOLECULES; PEPTIDE; PROTEIN ADSORPTION; PROTEIN RESIDUES; SURFACE COATINGS; SURFACE MODIFICATION; SURGICAL INSTRUMENTS;

ADHESION;

1 AZAADAMANTANE; 1 METHYL 1 SILAADAMANTANE; ADAMANTANE DERIVATIVE; DIAMOND; FLUORIDE; GLYCINE; NITROGEN; PEPTIDE; PROTEIN; SILICON; UNCLASSIFIED DRUG; WATER;

ADHESION; ARTICLE; ATOM; CALCULATION; CONFORMATIONAL TRANSITION; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ENERGY; GAS; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR DYNAMICS; NONHUMAN; SIMULATION; SURFACE PROPERTY;

ADHESIVENESS; AMINO ACIDS; COMPUTER SIMULATION; DIAMOND; MODELS, CHEMICAL; MODELS, MOLECULAR; PEPTIDES; PROTEINS; THERMODYNAMICS; WATER;

EID: 50149098185     PISSN: 15493296     EISSN: 15524965     Source Type: Journal    
DOI: 10.1002/jbm.a.31700     Document Type: Article

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