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Mitoxantrone and abacavir: An ALK protein-targeted in silic..:
Faya Castillo, Juan Enrique ; Zapata Dongo, Richard Junior ; Wong Chero, Paolo Alberto..
PLOS ONE. 19 (2024) 2 - p. e0295966 , 2024
PLOS ONE. 19 (2024) 2 - p. e0295966 , 2024
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Supplementary tables:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s001. , 2024
doi:10.1371/journal.pone.0295966.s001. , 2024
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4
Supplementary tables:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s001. , 2024
doi:10.1371/journal.pone.0295966.s001. , 2024
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Pharmacophore 2:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s008. , 2024
doi:10.1371/journal.pone.0295966.s008. , 2024
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RMSD LigConf values of ATP: Blue, mitoxantrone (MTX): Blue ..:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.g007. , 2024
doi:10.1371/journal.pone.0295966.g007. , 2024
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S3 Fig -:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s005. , 2024
doi:10.1371/journal.pone.0295966.s005. , 2024
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RMSD values of the molecular dynamics:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.g002. , 2024
doi:10.1371/journal.pone.0295966.g002. , 2024
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FDA-approved ALK inhibitors:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s004. , 2024
doi:10.1371/journal.pone.0295966.s004. , 2024
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10
Bar graphs of the binding energy in KJoul/mol of each iALK ..:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.g001. , 2024
doi:10.1371/journal.pone.0295966.g001. , 2024
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11
RMSD LigConf values of ATP: Blue, mitoxantrone (MTX): Blue ..:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.g007. , 2024
doi:10.1371/journal.pone.0295966.g007. , 2024
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FDA-approved ALK inhibitors:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s004. , 2024
doi:10.1371/journal.pone.0295966.s004. , 2024
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Heatmap of aminaocid that interact with cdALK + /iALK and c..:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s006. , 2024
doi:10.1371/journal.pone.0295966.s006. , 2024
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14
Fold change of binding energy between drugs and cdALK +:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.g004. , 2024
doi:10.1371/journal.pone.0295966.g004. , 2024
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Heatmap of aminaocid that interact with cdALK + /iALK and c..:
Juan Enrique Faya Castillo ; Richard Junior Zapata Dongo ; Paolo Alberto Wong Chero.
doi:10.1371/journal.pone.0295966.s006. , 2024
doi:10.1371/journal.pone.0295966.s006. , 2024