Steered molecular dynamics simulations reveal the likelier dissociation pathway of imatinib from its targeting kinases c-Kit and Abl

PLoS ONE

Volumn 4, Issue 12, 2009, Pages

  Yang, Li Jun ^a   Zou, Jun ^a   Xie, Huan Zhang ^a   Li, Lin Li ^a   Wei, Yu Quan ^a   Yang, Sheng Yong ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABELSON KINASE; ADENOSINE TRIPHOSPHATE; IMATINIB; STEM CELL FACTOR RECEPTOR; ION CHANNEL; LIGAND; PIPERAZINE DERIVATIVE; PROTEIN KINASE INHIBITOR; PYRIMIDINE DERIVATIVE;

AMINO ACID SEQUENCE; ARTICLE; DISSOCIATION; DRUG PROTEIN BINDING; DRUG TARGETING; ENZYME STRUCTURE; MOLECULAR DYNAMICS; MOLECULAR MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; METABOLISM; PROTEIN SECONDARY STRUCTURE; THERMODYNAMICS;

ADENOSINE TRIPHOSPHATE; ION CHANNELS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PIPERAZINES; PROTEIN KINASE INHIBITORS; PROTEIN STRUCTURE, SECONDARY; PROTO-ONCOGENE PROTEINS C-ABL; PROTO-ONCOGENE PROTEINS C-KIT; PYRIMIDINES; THERMODYNAMICS;

EID: 77949525702     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0008470     Document Type: Article

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