Structure change of β-hairpin induced by turn optimization: An enhanced sampling molecular dynamics simulation study

Journal of Chemical Physics

Volumn 135, Issue 23, 2011, Pages

  Shao, Qiang ^a   Yang, Lijiang ^a   Gao, Yi Qin ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL CHANGE; ENERGY PATHWAY; FOLDING PATHWAY; HAIRPIN STRUCTURES; HYDROPHOBIC CORE; KEY FACTORS; MOLECULAR DYNAMICS SIMULATIONS; NATIVE STRUCTURES; STABLE STRUCTURES; STRUCTURE CHANGE; TURN STRUCTURE; WILD TYPES;

DYNAMICS; FREE ENERGY; HYDROPHOBICITY; OPTIMIZATION;

MOLECULAR DYNAMICS;

BACTERIAL PROTEIN; IGG FC BINDING PROTEIN, STREPTOCOCCUS; IGG FC-BINDING PROTEIN, STREPTOCOCCUS; PEPTIDE FRAGMENT;

AMINO ACID SEQUENCE; ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; HYDROGEN BOND; MOLECULAR DYNAMICS; MUTATION; PROTEIN FOLDING; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

AMINO ACID SEQUENCE; BACTERIAL PROTEINS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR DYNAMICS SIMULATION; MUTATION; PEPTIDE FRAGMENTS; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS;

EID: 84555190697     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3668288     Document Type: Article

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