Small ligand-globin interactions: Reviewing lessons derived from computer simulation

Biochimica et Biophysica Acta - Proteins and Proteomics

Volumn 1834, Issue 9, 2013, Pages 1722-1738

  Capece, Luciana ^a   Boechi, Leonardo ^b   Perissinotti, Laura L ^c   Arroyo Mañez, Pau ^a   Bikiel, Damián E ^a   Smulevich, Giulietta ^d   Marti, Marcelo A ^a   Estrin, Dario A ^a  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF CALGARY   (Canada)

^d UNIVERSITY OF FLORENCE   (Italy)

Author keywords

Computer simulation; Globin; Heme protein; Molecular dynamics; QM MM

Indexed keywords

AMINO ACID; CYTOCHROME C; GLOBIN; HEME; HEMOGLOBIN; LIGAND; NITRITE; OXYGEN; HEMOPROTEIN;

AMINO ACID COMPOSITION; ARTICLE; BINDING SITE; COMPUTER SIMULATION; CONFORMATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DENITRIFYING BACTERIUM; DISSOCIATION; EQUILIBRIUM CONSTANT; ESCHERICHIA COLI; EXPERIMENTAL STUDY; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NONHUMAN; PARACOCCUS PANTOTROPHUS; PARAMECIUM CAUDATUM; POINT MUTATION; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTON TRANSPORT; PSEUDOMONAS AERUGINOSA; QUANTUM MECHANICS; RAMAN SPECTROMETRY; REDUCTION KINETICS; SITE DIRECTED MUTAGENESIS; WOLINELLA SUCCINOGENES; ANIMAL; CHEMISTRY; HUMAN; METABOLISM; QM/MM; QUANTUM THEORY; REVIEW;

COMPUTER SIMULATION; GLOBIN; HEME PROTEIN; MOLECULAR DYNAMICS; QM/MM;

ANIMALS; COMPUTER SIMULATION; GLOBINS; HUMANS; LIGANDS; QUANTUM THEORY;

EID: 84880701543     PISSN: 15709639     EISSN: 18781454     Source Type: Journal    
DOI: 10.1016/j.bbapap.2013.02.038     Document Type: Article

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