Factor Xa: Simulation studies with an eye to inhibitor design

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 6, 2000, Pages 507-529

  Daura, Xavier ^a   Haaksma, Eric ^b   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

Author keywords

Biomolecular simulation; Drug design; Factor Xa; GROMOS; Molecular dynamics

Indexed keywords

AMINO ACIDS; COAGULATION; ENZYMES; HYDROGEN BONDS; SOLUTIONS; X RAY CRYSTALLOGRAPHY;

ACTIVE SITE; BINDING-SITES; BIOMOLECULAR SIMULATION; DRUG DESIGN; FACTOR XA; GROMOS; HIGH AFFINITY; SELECTIVE INHIBITORS; SERINE PROTEASE; SIMULATION STUDIES;

MOLECULAR DYNAMICS;

ANTICOAGULANT AGENT; BLOOD CLOTTING FACTOR 10A; BLOOD CLOTTING FACTOR 10A INHIBITOR; PROTEIN; SERINE PROTEINASE; SOLVENT;

AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; CHEMICAL INTERACTION; CONTROLLED STUDY; DRUG DESIGN; ENZYME ACTIVE SITE; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; STRUCTURE ANALYSIS;

EID: 0033934585     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008120005475     Document Type: Article

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