Molecular Dynamics Simulations of Sonic Hedgehog-Receptor and Inhibitor Complexes and Their Applications for Potential Anticancer Agent Discovery

PLoS ONE

Volumn 8, Issue 7, 2013, Pages

  Hwang, Swan ^a   Thangapandian, Sundarapandian ^a   Lee, Keun Woo ^a  

^a Gyeongsang National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ANTINEOPLASTIC AGENT; CALCIUM ION; METAL ION; PROTEIN PATCHED; SONIC HEDGEHOG PROTEIN; ZINC ION;

ARTICLE; BINDING AFFINITY; BINDING SITE; CONTROLLED STUDY; DRUG RESEARCH; DRUG SYNTHESIS; HUMAN; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; PHARMACOPHORE; PROTEIN FUNCTION; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; PROTEIN TARGETING; RECEPTOR BINDING; STRUCTURE ACTIVITY RELATION;

AMINO ACID SEQUENCE; ANTINEOPLASTIC AGENTS; BINDING SITES; CARRIER PROTEINS; CATALYTIC DOMAIN; HEDGEHOG PROTEINS; HUMANS; LIGANDS; MEMBRANE GLYCOPROTEINS; METALS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PEPTIDES; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; RECEPTORS, CELL SURFACE; SEQUENCE HOMOLOGY, AMINO ACID; SIGNAL TRANSDUCTION;

EID: 84881157181     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0068271     Document Type: Article

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