How Anacetrapib Inhibits the Activity of the Cholesteryl Ester Transfer Protein? Perspective through Atomistic Simulations

PLoS Computational Biology

Volumn 10, Issue 11, 2014, Pages

  Äijänen, Tarja ^a   Koivuniemi, Artturi ^b   Javanainen, Matti ^a   Rissanen, Sami ^a   Rog, Tomasz ^a   Vattulainen, Ilpo ^a,c  

^a TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^b VTT TECHNICAL RESEARCH CENTRE OF FINLAND   (Finland)

^c UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARDIOLOGY; CHOLESTEROL; DISEASES; ESTERS; FREE ENERGY; LIPOPROTEINS; MOLECULAR DYNAMICS;

ATOMISTIC SIMULATIONS; CARDIOVASCULAR DISEASE; CHOLESTERYL ESTER TRANSFER PROTEINS; CHOLESTERYL ESTERS; HUMAN BLOOD PLASMAS; LIPOPROTEIN FRACTION; N-TERMINALS; NEUTRAL LIPID; PROTEIN ACTIVITY; PROTEIN INHIBITION;

PHOSPHOLIPIDS;

ANACETRAPIB; CHOLESTEROL ESTER TRANSFER PROTEIN; DIOLEOYLPHOSPHATIDYLCHOLINE; HIGH DENSITY LIPOPROTEIN CHOLESTEROL; LOW DENSITY LIPOPROTEIN CHOLESTEROL; PHOSPHOLIPID; CETP PROTEIN, HUMAN; CHOLESTEROL; OXAZOLIDINONE DERIVATIVE;

AMINO TERMINAL SEQUENCE; ARTICLE; BINDING AFFINITY; CARBOXY TERMINAL SEQUENCE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG BINDING SITE; DRUG INHIBITION; DRUG PROTEIN BINDING; DRUG STRUCTURE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PROTEIN FUNCTION; PROTEIN LIPID INTERACTION; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; THERMODYNAMICS; ANTAGONISTS AND INHIBITORS; CHEMISTRY; HUMAN; METABOLISM; STATIC ELECTRICITY;

CHOLESTEROL; CHOLESTEROL ESTER TRANSFER PROTEINS; HUMANS; MOLECULAR DOCKING SIMULATION; OXAZOLIDINONES; PHOSPHOLIPIDS; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84912076937     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1003987     Document Type: Article

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