Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring

Journal of Medicinal Chemistry

Volumn 49, Issue 16, 2006, Pages 4805-4808

  Lyne, Paul D ^a   Lamb, Michelle L ^a   Saeh, Jamal C ^a  

^a ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLIN DEPENDENT KINASE 2 INHIBITOR; MITOGEN ACTIVATED PROTEIN KINASE P38 INHIBITOR; STRESS ACTIVATED PROTEIN KINASE INHIBITOR;

ACCURACY; ARTICLE; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG STRUCTURE; IC 50; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PREDICTION; SOLVATION; THERMODYNAMICS;

ANILINE COMPOUNDS; BINDING SITES; CYCLIN-DEPENDENT KINASE 2; MITOGEN-ACTIVATED PROTEIN KINASE 10; MODELS, MOLECULAR; MORPHOLINES; P38 MITOGEN-ACTIVATED PROTEIN KINASES; PIPERIDINES; PROTEIN CONFORMATION; PROTEIN-SERINE-THREONINE KINASES; PYRIDINES; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 33746872935     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm060522a     Document Type: Article

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