First-principles-based force field for the interaction of proteins with Au(100)(5 × 1): An extension of GolP-CHARMM

Journal of Physical Chemistry C

Volumn 117, Issue 46, 2013, Pages 24292-24306

  Wright, Louise B ^a   Rodger, P Mark ^a   Walsh, Tiffany R ^b   Corni, Stefano ^c  

^a UNIVERSITY OF WARWICK   (United Kingdom)

^b DEAKIN UNIVERSITY   (Australia)

^c CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL SIMULATION; FIRST-PRINCIPLES CALCULATION; INORGANIC MATERIALS; MOLECULAR DYNAMICS SIMULATIONS; PEPTIDE ADSORPTION; PEPTIDE BINDING; SPECIFIC LOCATION; THREE-DIMENSIONAL STRUCTURE;

ADSORPTION; CALCULATIONS; DIGITAL STORAGE; MOLECULAR DYNAMICS; PEPTIDES;

PHASE INTERFACES;

EID: 84887100047     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4061329     Document Type: Article

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