Structure prediction and R115866 binding study of human CYP26A1: Homology modelling, fold recognition, molecular docking and MD simulations

Molecular Simulation

Volumn 34, Issue 3, 2008, Pages 337-346

  Ren, J H ^a   Xiong, X Q ^a   Sha, Y ^a   Yan, M C ^a   Lin, B ^b   Wang, J ^a   Jing, Y K ^c   Zhao, D M ^a   Cheng, M S ^a  

^a SHENYANG PHARMACEUTICAL UNIVERSITY   (China)

^b BAYLOR COLLEGE OF MEDICINE   (United States)

^c MOUNT SINAI SCHOOL OF MEDICINE   (United States)

Author keywords

CYP26A1; Docking; Molecular dynamics; Molecular modelling; R115866

Indexed keywords

AMINES; AMINO ACIDS; ANIMAL CELL CULTURE; BIOCHEMISTRY; COMPLEXATION; DOCKING; DYNAMICS; ENZYMES; FISCHER-TROPSCH SYNTHESIS; FLOW INTERACTIONS; FOOD ADDITIVES; HEALTH; HYDROGEN; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; ORGANIC ACIDS; PORPHYRINS; QUANTUM CHEMISTRY; STABILIZERS (AGENTS);

ACTION-MODE; ACTIVE SITES; AMINO ACID RESIDUES; BLOCKING AGENTS; COFACTOR; CYP26A1; FLEXIBLE DOCKING; FOLD RECOGNITION; HUMAN CYTOCHROME; HYDROPHOBIC INTERACTIONS; MD SIMULATIONS; MOLECULAR DOCKING; MOLECULAR-DYNAMICS (MD) SIMULATIONS; RETINOIC ACID (RA); SIDE CHAINS; STRUCTURE ANALYSIS; STRUCTURE PREDICTION; THREE DIMENSIONAL (3 D) MODELING;

THREE DIMENSIONAL;

EID: 45849104255     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020801930562     Document Type: Article

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