3D-QSAR, docking and molecular dynamics for factor Xa inhibitors as anticoagulant agents

Molecular Simulation

Volumn 39, Issue 6, 2013, Pages 453-471

  Ghasemi, Jahan B ^a   Hooshmand, Shabnam ^a  

^a K N TOOSI UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

3D QSAR; CoMFA; docking; factor Xa; Molecular dynamics

Indexed keywords

3D-QSAR; COMFA; COMPARATIVE MOLECULAR FIELD ANALYSIS; CROSS-VALIDATION METHODS; FACTOR XA; MOLECULAR DYNAMICS SIMULATIONS; PARTIAL LEAST SQUARE (PLS); QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP;

ALIGNMENT; COMPUTATIONAL CHEMISTRY; DOCKING; DRUG PRODUCTS; LEAST SQUARES APPROXIMATIONS; MOLECULAR DYNAMICS;

THREE DIMENSIONAL COMPUTER GRAPHICS;

EID: 84876288092     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2012.741235     Document Type: Article

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