Determination of the structure of human phosphodiesterase-2 in a bound state and its binding with inhibitors by molecular modeling, docking, and dynamics simulation

Journal of Physical Chemistry B

Volumn 113, Issue 9, 2009, Pages 2896-2908

  Hamza, Adel ^a   Zhan, Chang Guo ^a  

^a University of Kentucky   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; CRYSTAL STRUCTURE; DOCKING; DYNAMICS; ENZYMES; FREE ENERGY; MODEL STRUCTURES; MOLECULAR MODELING; NUCLEIC ACIDS; NUCLEOTIDES; THREE DIMENSIONAL;

3-D MODELS; BINDING FREE ENERGIES; BINDING MODES; BINDING POCKETS; BOUND STATE; CATALYTIC DOMAINS; CATALYTIC SITES; CYCLIC NUCLEOTIDES; DYNAMICS SIMULATIONS; EXPERIMENTAL DATUM; MOLECULAR DOCKING; PHOSPHODIESTERASE; POTENT INHIBITORS; RATIONAL DESIGNS; SECOND MESSENGERS; STRUCTURAL CHANGES; STRUCTURAL FEATURES; STRUCTURAL INSIGHTS; SUBSTANTIAL VARIATIONS; THERAPEUTIC AGENTS; UNBOUND STATE; X-RAY CRYSTAL STRUCTURES;

BINDING ENERGY;

EID: 65249092023     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8082612     Document Type: Article

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