Ligand migration in myoglobin: A combined study of computer simulation and x-ray crystallography

Journal of Chemical Physics

Volumn 136, Issue 16, 2012, Pages

  Tsuduki, Takayuki ^a   Tomita, Ayana ^b   Koshihara, Shin Ya ^c   Adachi, Shin Ichi ^b   Yamato, Takahisa ^a  

^a NAGOYA UNIVERSITY   (Japan)

^b HIGH ENERGY ACCELERATOR RESEARCH ORGANIZATION KEK   (Japan)

^c TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

3-D SCALAR; CONFORMATIONAL ENSEMBLE; LIGAND MOLECULES; LIGAND-PROTEIN INTERACTION; MOLECULAR DYNAMICS SIMULATIONS; MULTI-DISCIPLINARY APPROACH; POTENTIAL OF MEAN FORCE; PROTEIN CONFORMATION; PROTEIN MATRIX; STATISTICAL ENSEMBLES; STRUCTURAL CHANGE; THERMAL AVERAGES; X-RAY STUDIES;

COMPUTATIONAL METHODS; CONFORMATIONS; MOLECULAR DYNAMICS; PROTEINS; SELF ASSEMBLY; THREE DIMENSIONAL; X RAY CRYSTALLOGRAPHY; X RAYS;

LIGANDS;

LIGAND; MYOGLOBIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MYOGLOBIN;

EID: 84860470953     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4704586     Document Type: Article

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