Binding Kinetics versus Affinities in BRD4 Inhibition

Journal of Chemical Information and Modeling

Volumn 55, Issue 9, 2015, Pages 1926-1935

  Kuang, Ming ^a,b   Zhou, Jingwei ^b   Wang, Laiyou ^a   Liu, Zhihong ^b   Guo, Jiao ^a   Wu, Ruibo ^b  

^a GUANGDONG PHARMACEUTICAL UNIVERSITY   (China)

^b SUN YAT SEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING ENERGY; BIOCHEMISTRY; LIGANDS; MOLECULAR DYNAMICS; PROTEINS; THERMODYNAMICS;

CLASSICAL MOLECULAR DYNAMICS; DENSITY FUNCTIONALS; DYNAMIC CHARACTERISTICS; INHIBITION MECHANISMS; INHIBITORY EFFECT; LIGAND-PROTEIN BINDING; QM/MM MD SIMULATIONS; SELECTIVE INHIBITORS;

KINETICS;

BRD4 PROTEIN, HUMAN; NUCLEAR PROTEIN; PROTEIN BINDING; TRANSCRIPTION FACTOR;

ANTAGONISTS AND INHIBITORS; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DELIVERY SYSTEM; HUMAN; IC50; KINETICS; METABOLISM; MOLECULAR DYNAMICS;

DRUG DELIVERY SYSTEMS; HUMANS; INHIBITORY CONCENTRATION 50; KINETICS; MODELS, BIOLOGICAL; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; NUCLEAR PROTEINS; PROTEIN BINDING; TRANSCRIPTION FACTORS;

EID: 84942532115     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00265     Document Type: Article

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