Molecular modeling of p38α mitogen-activated protein kinase inhibitors through 3D-QSAR and molecular dynamics simulations

Journal of Chemical Information and Modeling

Volumn 53, Issue 7, 2013, Pages 1775-1786

  Chang, Hsin Wen ^a   Chung, Fu Sheng ^a   Yang, Chia Ning ^a  

^a NATIONAL UNIVERSITY OF KAOHSIUNG   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; ENZYMES; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR MODELING; PATHOLOGY;

COMPARATIVE MOLECULAR FIELD ANALYSIS; INFLAMMATORY CYTOKINES; MITOGEN ACTIVATED PROTEIN KINASE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MODELING TECHNIQUES; P38 MITOGEN-ACTIVATED PROTEIN KINASE; STRUCTURAL REQUIREMENTS; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

BINDING ENERGY;

MITOGEN ACTIVATED PROTEIN KINASE 14; PROTEIN KINASE INHIBITOR;

ARTICLE; CHEMISTRY; DRUG ANTAGONISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THERMODYNAMICS; ANTAGONISTS AND INHIBITORS;

MITOGEN-ACTIVATED PROTEIN KINASE 14; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84880528379     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci4000085     Document Type: Article

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