Exploration of virtual candidates for human HMG-CoA reductase inhibitors using pharmacophore modeling and molecular dynamics simulations

PLoS ONE

Volumn 8, Issue 12, 2013, Pages

  Son, Minky ^a   Baek, Ayoung ^a   Sakkiah, Sugunadevi ^b   Park, Chanin ^a   John, Shalini ^a   Lee, Keun Woo ^a  

^a Gyeongsang National University   (South Korea)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; DRUG DISCOVERY; HUMANS; HYDROGEN BONDING; HYDROXYMETHYLGLUTARYL COA REDUCTASES; HYDROXYMETHYLGLUTARYL-COA REDUCTASE INHIBITORS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION DOMAINS AND MOTIFS; REPRODUCIBILITY OF RESULTS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84893544576     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0083496     Document Type: Article

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