GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water

Journal of Computational Chemistry

Volumn 30, Issue 9, 2009, Pages 1465-1476

  Iori, F ^a   Di Felice, R ^b   Molinari, E ^a,b   Corni, S ^b  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b INFM   (Italy)

Author keywords

Force fields; Gold surfaces; Molecular dynamics

Indexed keywords

AU(1 1 1 ); AU(111) SURFACES; DESORPTION ENERGY; EXPERIMENTAL DATA; EXPLICIT WATER; FORCE FIELDS; GOLD SURFACES; IMAGE-CHARGE EFFECTS; LINEAR ALKANES; MP2 CALCULATIONS; NATURAL AMINO ACIDS; PARAMETRIZATION; PLESSET PERTURBATION THEORY; QUANTUM MECHANICAL; SECOND ORDERS; SIDE CHAINS; SMALL MOLECULES; TEST SETS; VALIDATION RESULTS; VAN DER WAALS;

ADSORPTION; AMINES; AMINO ACIDS; CHEMISORPTION; CODES (SYMBOLS); DENSITY FUNCTIONAL THEORY; DESORPTION; DYNAMICS; GOLD METALLURGY; MOLECULAR DYNAMICS; ORGANIC ACIDS; PARAFFINS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; PROTEINS; VAN DER WAALS FORCES;

GOLD;

GOLD; PROTEIN; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; SURFACE PROPERTY;

COMPUTER SIMULATION; GOLD; MODELS, CHEMICAL; PROTEINS; QUANTUM THEORY; SURFACE PROPERTIES; WATER;

EID: 67650159736     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21165     Document Type: Article

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