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Journal of Chemical Physics

Volumn 131, Issue 16, 2009, Pages

Folding simulations of gramicidin A into the Β-helix conformations: Simulated annealing molecular dynamics study

(2) Mori, Takaharu a,b Okamoto, Yuko a,b

a NAGOYA UNIVERSITY (Japan)

b JAPAN SCIENCE AND TECHNOLOGY AGENCY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY CONFORMATION; EXPLICIT WATER; GRAMICIDIN A; HEAD GROUPS; HELIX CONFORMATION; HELIX STRUCTURES; HOMOGENEOUS MEMBRANE; IN-VACUUM; ION CHANNEL; L-AMINO ACIDS; LIPID MOLECULES; MD SIMULATION; MINIMUM ENERGY; MOLECULAR DYNAMICS METHODS; NATURAL CONDITIONS; PORE WATERS; SECONDARY STRUCTURES; SIDE CHAINS; TERTIARY STRUCTURES;

AMINES; AMINO ACIDS; CONFORMATIONS; FLUORINE CONTAINING POLYMERS; HYDROGEN BONDS; MOLECULAR DYNAMICS; ORGANIC ACIDS; ORGANIC SOLVENTS; POLYPEPTIDES; WATER;

SIMULATED ANNEALING;

GRAMICIDIN; SOLVENT;

ARTICLE; CELL MEMBRANE; CHEMISTRY; MOLECULAR DYNAMICS; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

CELL MEMBRANE; GRAMICIDIN; MOLECULAR DYNAMICS SIMULATION; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; SOLVENTS; THERMODYNAMICS;

EID: 72049101502 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3247578 Document Type: Article

Times cited : (10)

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