Modelling of Factor Xa-inhibitor complexes: A computational flexible docking approach

Proteins: Structure, Function and Genetics

Volumn 34, Issue 2, 1999, Pages 173-183

  Rao, Mohan S ^a   Olson, Arthur J ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

Blood coagulation; Factor Xa; Flexible docking; Protein ligand interaction; Serine protease; Synthetic inhibitors

Indexed keywords

2 [4 [(1 ACETIMIDOYL 3 PYRROLIDINYL)OXY]PHENYL] 3 (7 AMIDINO 2 NAPHTHYL)PROPIONIC ACID; 3 AMIDINOBENZYLPHENYL ETHER; 4 AMIDINOBENZYLPHENYL ETHER; AMIDINOPHENYLPYRUVIC ACID; BLOOD CLOTTING FACTOR 10A; BLOOD CLOTTING FACTOR 10A INHIBITOR; DIAMIDINOBENZOFURANYLETHENE; DOCKING PROTEIN; UNCLASSIFIED DRUG;

ANTICOAGULATION; ARTICLE; BINDING AFFINITY; BINDING KINETICS; COMPLEX FORMATION; INHIBITION KINETICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PRIORITY JOURNAL; PROTEIN INTERACTION; SIMULATION;

AMIDINES; ANTITHROMBINS; COMPUTER SIMULATION; FACTOR XA; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NAPHTHALENES; PHENYLPYRUVIC ACIDS; PROPIONIC ACIDS; PROTEIN BINDING; SERINE PROTEINASE INHIBITORS; WATER;

OXY;

EID: 0033081482     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(19990201)34:2<173::AID-PROT3>3.0.CO;2-F     Document Type: Article

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