Computatationally accessible method for estimating free energy changes resulting from site-specific mutations of biomolecules: Systematic model building and structural/hydropathic analysis of deoxy and oxy hemoglobins

Proteins: Structure, Function and Genetics

Volumn 42, Issue 3, 2001, Pages 355-377

  Burnett, James C ^a   Botti, Paolo ^a   Abraham, Donald J ^a   Kellogg, Glen E ^a  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

Author keywords

Dimer dimer interface; GRID; HINT; Interface waters; Molecular modeling; Noncovalent interactions

Indexed keywords

DEOXYHEMOGLOBIN; MUTANT PROTEIN; OXYHEMOGLOBIN; HEMOGLOBIN; WATER;

ACCURACY; ARTICLE; CALCULATION; CORRELATION FUNCTION; ENERGY; GENE MUTATION; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN STRUCTURE; STRUCTURE ANALYSIS; THERMODYNAMICS; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; DIMERIZATION; ENERGY METABOLISM; GENETICS; PROTEIN CONFORMATION; SITE DIRECTED MUTAGENESIS;

OXY;

COMPUTATIONAL BIOLOGY; DIMERIZATION; ENERGY METABOLISM; HEMOGLOBINS; MODELS, MOLECULAR; MUTAGENESIS, SITE-DIRECTED; OXYHEMOGLOBINS; PROTEIN CONFORMATION; SOFTWARE; THERMODYNAMICS; WATER;

EID: 0035866237     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/1097-0134(20010215)42:3<355::AID-PROT60>3.0.CO;2-F     Document Type: Article

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