Binding pathway of histamine to the hH4R, observed by unconstrained molecular dynamics

Bioorganic and Medicinal Chemistry Letters

Volumn 25, Issue 6, 2015, Pages 1259-1268

  Wittmann, Hans Joachim ^a   Strasser, Andrea ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

Author keywords

Histamine; Histamine H4 receptor; Ligand binding pathway; Molecular dynamics

Indexed keywords

AMINE; ASPARTIC ACID; GLUTAMIC ACID; GLUTAMINE; HISTAMINE; HISTAMINE H4 RECEPTOR; IMIDAZOLE; G PROTEIN COUPLED RECEPTOR; HISTAMINE RECEPTOR; HRH4 PROTEIN, HUMAN;

ALLOSTERISM; ARTICLE; BINDING AFFINITY; BINDING SITE; CONFORMATIONAL TRANSITION; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DYNAMICS; PROTEIN STRUCTURE; RECEPTOR BINDING; SIGNAL TRANSDUCTION; SITE DIRECTED MUTAGENESIS; STATIC ELECTRICITY; AMINO ACID SEQUENCE; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR GENETICS; PROTEIN TERTIARY STRUCTURE; SEQUENCE ALIGNMENT;

AMINO ACID SEQUENCE; BINDING SITES; HUMANS; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN STRUCTURE, TERTIARY; RECEPTORS, G-PROTEIN-COUPLED; RECEPTORS, HISTAMINE; SEQUENCE ALIGNMENT; STATIC ELECTRICITY;

EID: 84923827840     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2015.01.052     Document Type: Article

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