Docking and molecular dynamics studies on the interaction of four imidazoline derivatives with potassium ion channel (Kir6.2)

Molecular Simulation

Volumn 36, Issue 2, 2010, Pages 166-174

  Zhang, Rui ^a,b   Wang, Zhiguo ^a,b   Ling, Baoping ^c   Liu, Yongjun ^a,c   Liu, Chengbu ^c  

^a NORTHWEST INSTITUTE OF PLATEAU BIOLOGY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c SHANDONG UNIVERSITY   (China)

Author keywords

AutoDock; Gromacs; Imidazoline; KATP; Molecular dynamics

Indexed keywords

ANTIDIABETIC DRUG; AUTODOCK; BILAYER MEMBRANES; BINDING POCKETS; DOCKING SITES; EXPLICIT WATER; GROMACS; HYDROPHOBIC POCKETS; IMIDAZOLINE DERIVATIVES; IMIDAZOLINES; INTERACTION MODES; KEY COMPONENT; LIPID BILAYER MEMBRANES; MOLECULAR DYNAMICS SIMULATIONS; NONPOLAR INTERACTIONS; PHOSPHATIDYL CHOLINE; POTASSIUM CHANNELS; POTASSIUM ION CHANNELS;

BINDING ENERGY; BINDING SITES; BIOCHEMISTRY; COMPLEXATION; DOCKING; DYNAMICS; LIPID BILAYERS; MEMBRANE STRUCTURES; MOLECULAR DYNAMICS;

DRUG INTERACTIONS;

EID: 77049110569     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020903141035     Document Type: Article

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