A computational modeling and molecular dynamics study of the Michaelis complex of human protein Z-dependent protease inhibitor (ZPI) and factor Xa (FXa)

Journal of Molecular Modeling

Volumn 15, Issue 8, 2009, Pages 897-911

  Chandrasekaran, Vasudevan ^a   Lee, Chang Jun ^a   Lin, Ping ^b   Duke, Robert E ^a,c   Pedersen, Lee G ^a,c  

^a The University of North Carolina at Chapel Hill   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

Author keywords

Antithrombin III; Factor Xa; Homology modeling; Molecular dynamics simulation; Protein Z dependent protease inhibitor; Protein protein docking; Reactive center loop; Serpins

Indexed keywords

ANTITHROMBIN III; BLOOD CLOTTING FACTOR 10A; PROTEIN Z DEPENDENT PROTEASE INHIBITOR; PROTEINASE INHIBITOR; SERINE PROTEINASE INHIBITOR; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING AFFINITY; CALCULATION; CRYSTAL STRUCTURE; MATHEMATICAL MODEL; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTEIN SECONDARY STRUCTURE; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY; STRUCTURE ANALYSIS;

ALGORITHMS; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; FACTOR XA; HEPARIN; HUMANS; KINETICS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SERPINS;

EID: 67649547212     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0444-3     Document Type: Article

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