Ponatinib Is a Pan-BCR-ABL Kinase Inhibitor: MD Simulations and SIE Study

Open Access

Peer-reviewed

Research Article

Karunakar Tanneeru,

Affiliation School of Chemistry, University of Hyderabad, Hyderabad, India
⨯
Lalitha Guruprasad

* E-mail: lgpsc@uohyd.ernet.in

Affiliation School of Chemistry, University of Hyderabad, Hyderabad, India
⨯

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Free energy
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Crystal structure
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Hydrogen bonding
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Protein structure
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Biochemical simulations
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Electrostatics
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Molecular dynamics
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Drug interactions
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