Exhaustive enumeration of the effects of point charge mutations on the electrostatically driven association of hemoglobin subunits, using weighted-ensemble brownian dynamics simulations

Structural Chemistry

Volumn 13, Issue 2, 2002, Pages 193-202

  Fisher, Eric W ^a   Rojnuckarin, Atipat ^b   Kim, Sangtae ^c  

^a UNIVERSITY OF ILLINOIS AT SPRINGFIELD   (United States)

^b ARQULE INC   (United States)

^c ELI LILLY AND COMPANY   (United States)

Author keywords

Computer simulation; Electrostatic steering; Hemoglobin; Protein ligand interactions; Weighted ensemble Brownian dynamics

Indexed keywords

HEMOGLOBIN CHAIN; LIGAND;

ACCELERATION; ARTICLE; BIOMOLECULAR ELECTRONICS; CHEMICAL BINDING; CLAM; COMPUTER SIMULATION; CONTROLLED STUDY; DIMERIZATION; ELECTRICITY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR WEIGHT; NONHUMAN; POINT MUTATION; PROTEIN INTERACTION; PROTEIN MODIFICATION; SCAPHARCA INAEQUIVALVIS;

BIVALVIA; SCAPHARCA; SCAPHARCA INAEQUIVALVIS;

EID: 1842477734     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1015764801223     Document Type: Article

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