Structural basis for decreased affinity of Emodin binding to Val66-mutated human CK2α as determined by molecular dynamics

Journal of Molecular Modeling

Volumn 16, Issue 4, 2010, Pages 771-780

  Zhang, Na ^a   Zhong, Rugang ^a  

^a BEIJING UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Binding affinity; Emodin; Hydrophobic interaction; MM PBSA; Molecular dynamics simulations; Protein kinase CK2

Indexed keywords

CASEIN KINASE II; EMODIN;

ALLOSTERISM; ALPHA HELIX; AMINO ACID SUBSTITUTION; ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; HUMAN; MOLECULAR DYNAMICS; MUTAGENESIS; POINT MUTATION; PRIORITY JOURNAL; CHEMISTRY; GENETICS; MISSENSE MUTATION; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

ALLOSTERIC REGULATION; CASEIN KINASE II; EMODIN; HUMANS; MOLECULAR DYNAMICS SIMULATION; MUTATION, MISSENSE; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 77954596586     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0582-2     Document Type: Article

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