Combined use of replica-exchange molecular dynamics and magic-angle-spinning solid-state NMR spectral simulations for determining the structure and orientation of membrane-bound peptide

Journal of Physical Chemistry B

Volumn 115, Issue 29, 2011, Pages 9327-9336

  Ikeda, Keisuke ^a   Kameda, Tomoshi ^b   Harada, Erisa ^a,c   Akutsu, Hideo ^a   Fujiwara, Toshimichi ^a  

^a OSAKA UNIVERSITY   (Japan)

^b Japan Biological Information Research Center   (Japan)

^c SUNTORY INSTITUTE FOR BIOORGANIC RESEARCH   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; COMPUTER SIMULATION; DEMAGNETIZATION; LIPID BILAYERS; MOLECULAR ORIENTATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PEPTIDES; SOLID STATE PHYSICS;

DIPOLAR COUPLINGS; LOW ENERGY STRUCTURES; MAGIC ANGLE SPINNING; MEMBRANE PEPTIDES; MEMBRANE PROTEIN COMPLEX; MEMBRANE-BOUND; MOLECULAR DYNAMICS SIMULATIONS; P-SELECTIVE; PEPTIDE STRUCTURES; REPLICA EXCHANGE MOLECULAR DYNAMICS; SIDE CHAIN STRUCTURE; SIMULATED STRUCTURE; SOLID STATE NMR; SPECTRAL SIMULATIONS; STRUCTURAL CONSTRAINTS; STRUCTURE AND ORIENTATION;

MOLECULAR DYNAMICS;

EID: 79960653151     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp205290t     Document Type: Article

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