Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2

Biochimica et Biophysica Acta - Proteins and Proteomics

Volumn 1834, Issue 9, 2013, Pages 1957-1967

  Spyrakis, Francesca ^a   Lucas, Fátima ^b   Bidon Chanal, Axel ^c   Viappiani, Cristiano ^a   Guallar, Victor ^b,d   Luque, F Javier ^c  

^a UNIVERSITY OF PARMA   (Italy)

^b BARCELONA SUPERCOMPUTING CENTER   (Spain)

^c UNIVERSITY OF BARCELONA   (Spain)

^d INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

Ligand migration; Molecular simulations; Non symbiotic hemoglobins; Protein flexibility; Structure function relationships

Indexed keywords

HEMOGLOBIN; HEMOGLOBIN AHB1; HEMOGLOBIN AHB2; NITRIC OXIDE; OXYGEN; UNCLASSIFIED DRUG; AHB1 PROTEIN, ARABIDOPSIS; AHB2 PROTEIN, ARABIDOPSIS; ARABIDOPSIS PROTEIN; HEME; HISTIDINE;

ARABIDOPSIS THALIANA; ARTICLE; COMPUTER MODEL; COMPUTER SIMULATION; CONTROLLED STUDY; DETOXIFICATION; GAS; LIGAND BINDING; LIGAND MIGRATION; MOLECULAR DYNAMICS; MUTATION; NONHUMAN; PRIORITY JOURNAL; PROTEIN TRANSPORT; SEQUENCE HOMOLOGY; STRUCTURE ACTIVITY RELATION; ANISOTROPIC NETWORK MODEL; ANM; ARABIDOPSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; DISSOCIATION CONSTANT; ED; ESSENTIAL DYNAMICS; K(D); KINETICS; MD; METABOLISM; MOLECULAR SIMULATIONS; NON-SYMBIOTIC HEMOGLOBINS; PELE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN ENERGY LANDSCAPE EXPLORATION; PROTEIN FLEXIBILITY; RMDF; RMSD; ROOT-MEAN SQUARE DEVIATION; ROOT-MEAN SQUARE FLUCTUATION; STRUCTURE-FUNCTION RELATIONSHIPS;

ARABIDOPSIS THALIANA;

ANISOTROPIC NETWORK MODEL; ANM; DISSOCIATION CONSTANT; ED; ESSENTIAL DYNAMICS; K(D); LIGAND MIGRATION; MD; MOLECULAR DYNAMICS; MOLECULAR SIMULATIONS; NON-SYMBIOTIC HEMOGLOBINS; PELE; PROTEIN ENERGY LANDSCAPE EXPLORATION; PROTEIN FLEXIBILITY; RMDF; RMSD; ROOT-MEAN SQUARE DEVIATION; ROOT-MEAN SQUARE FLUCTUATION; STRUCTURE-FUNCTION RELATIONSHIPS;

ARABIDOPSIS; ARABIDOPSIS PROTEINS; HEME; HEMOGLOBINS; HISTIDINE; KINETICS; MODELS, MOLECULAR; NITRIC OXIDE; OXYGEN; PROTEIN BINDING; PROTEIN CONFORMATION;

EID: 84884666066     PISSN: 15709639     EISSN: 18781454     Source Type: Journal    
DOI: 10.1016/j.bbapap.2013.04.003     Document Type: Article

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