Computation of the binding free energy of peptides to graphene in explicit water

Journal of Chemical Physics

Volumn 143, Issue 4, 2015, Pages

  Welch, Corrinne M ^a   Camden, Aerial N ^a   Barr, Stephen A ^a   Leuty, Gary M ^a   Kedziora, Gary S ^a   Berry, Rajiv J ^a  

^a AIR FORCE RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; ENTHALPY; FREE ENERGY; GRAPHENE; PEPTIDES; VAN DER WAALS FORCES;

AMINO ACID RESIDUES; BINDING ENTHALPIES; BINDING FREE ENERGY; BIOMOLECULE INTERACTIONS; CHARACTERISTIC PROPERTIES; COMPUTATIONAL MATERIALS SCIENCE; PEPTIDE BINDING; VAN DER WAALS INTERACTIONS;

BINDING ENERGY;

AMINO ACID; GRAPHITE; PEPTIDE; WATER;

ADSORPTION; CHEMISTRY; CONFORMATION; ENERGY METABOLISM; MOLECULAR DYNAMICS; SURFACE PROPERTY; THERMODYNAMICS;

ADSORPTION; AMINO ACIDS; ENERGY METABOLISM; GRAPHITE; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PEPTIDES; SURFACE PROPERTIES; THERMODYNAMICS; WATER;

EID: 84938228414     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4927344     Document Type: Article

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