Prediction of protein conformation in water and on surfaces by Monte Carlo simulations using united-atom method

Molecular Simulation

Volumn 35, Issue 4, 2009, Pages 292-300

  Al Mekhnaqi, Abdulhakeem M ^a   Mayeed, Mohammed S ^a   Newaz, Golam M ^a  

^a Wayne State University   (United States)

Author keywords

Local minimisation; Monte Carlo simulation; United atom method

Indexed keywords

ADSORPTION PROCESS; ATOMISTIC MODELLING; ATOMISTIC SIMULATIONS; BIO-SURFACES; CARBON BACKBONE; CHAIN INTERACTIONS; ENERGY MINIMISATION; GLOBAL MINIMA; GRAPHITE SURFACES; HELIX STRUCTURES; INTRAMOLECULAR HYDROGEN BOND; KEY FACTORS; LENNARD-JONES POTENTIAL; LOCAL MINIMISATION; MONTE CARLO; MONTE CARLO SIMULATION; PANCREATIC POLYPEPTIDES; PEPTIDE GROUPS; PROTEIN ADSORPTION; PROTEIN CONFORMATION; PROTEIN DATA BANK; PROTEIN MOLECULES; RANDOM CONFORMATIONS; ROOT MEAN SQUARE DEVIATIONS; SECONDARY STRUCTURES; SIDE CHAINS; SIMULATION RESULT; SUBDOMAIN; TOTAL POTENTIAL ENERGY; UNITED-ATOM METHOD; VIRTUAL BONDS;

ABSTRACTING; ADSORPTION; AMINES; AMINO ACIDS; ATOMS; COMPUTER SIMULATION LANGUAGES; CONFORMATIONS; GRAPHITE; HYDROGEN; HYDROGEN BONDS; ORGANIC ACIDS; PUMPING PLANTS; SIMULATORS; SPHERES;

MONTE CARLO METHODS;

EID: 68149100761     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802468364     Document Type: Article

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