A hybrid multi-loop genetic-algorithm/simplex/spatial-grid method for locating the optimum orientation of an adsorbed protein on a solid surface

Computer Physics Communications

Volumn 180, Issue 5, 2009, Pages 669-674

  Wei, Tao ^a   Mu, Shengjing ^b   Nakano, Aiichiro ^a   Shing, Katherine ^a  

^a University of Southern California ^*  (United States)

^b Yokogawa Engineering Asia Pte Ltd   (Singapore)

Author keywords

Adsorption; Hybrid genetic algorithm; Lysozyme; Optimum orientations and positions; Spatial grid method

Indexed keywords

CONVERGENCE OF NUMERICAL METHODS; ENZYMES; GAS ADSORPTION; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MOLECULES; TRANSIENTS;

AQUEOUS ENVIRONMENTS; ATOMISTIC SIMULATIONS; CUTOFF DISTANCES; DERIVATIVE-FREE; DIELECTRIC CONSTANTS; EFFECTIVE INTERACTIONS; ENERGY ORIENTATIONS; FASTER CONVERGENCES; GLOBAL ENERGY MINIMUM; GRID METHODS; GRID POINTS; HYBRID GENETIC ALGORITHM; HYBRID SEARCHES; HYDROGEN-TERMINATED SILICONS; INTERACTION ENERGIES; INTERLINKED LOOPS; LOCAL OPTIMIZER; LYSOZYME; LYSOZYME ADSORPTIONS; MOLECULAR DYNAMIC SIMULATIONS; NELDER-MEAD SIMPLEX METHODS; OPTIMUM ORIENTATIONS AND POSITIONS; OPTIMUM POSITIONS; PROTEIN ADSORPTIONS; PROTEIN MOLECULES; PROTEIN ORIENTATIONS; PROTEIN-SURFACE INTERACTIONS; RIGID BODIES; SIMILARITY ANALYSIS; SIMULATION STUDIES; SOLID SURFACES; SOLUTION ACCURACIES; SPATIAL GRID METHOD;

GENETIC ALGORITHMS;

EID: 61849135701     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2008.11.008     Document Type: Article

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