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Large-Scale Virtual Screening Against the MET Kinase Domain Identifies a New Putative Inhibitor Type
By using an ensemble-docking strategy, we undertook a large-scale virtual screening campaign in order to identify new putative hits against the MET kinase target. Following a large molecular dynamics sampling of its conformational space, a set of 45 conformers of the kinase was retained as docking t...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7070486/ https://www.ncbi.nlm.nih.gov/pubmed/32093126 http://dx.doi.org/10.3390/molecules25040938 |