An Energetically Favorable Ligand Entrance Gate of a Multidrug Transporter Revealed by Partial Nudged Elastic Band Simulations

P-glycoprotein (P-gp) is a multidrug transporter, which harnesses the chemical energy of ATP to power the efflux of diverse chemotherapeutics out of cells and thus contributes to the development of multidrug resistance (MDR) in cancer. It has been proved that the ligand-binding pocket of P-gp is loc...

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Detalles Bibliográficos
Autores principales: Xing, Juan, Mei, Hu, Huang, ShuHeng, Zhang, Duo, Pan, XianChao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Research Network of Computational and Structural Biotechnology 2019
Materias:
Short Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6406077/
https://www.ncbi.nlm.nih.gov/pubmed/30899446
http://dx.doi.org/10.1016/j.csbj.2019.02.008

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6406077/
https://www.ncbi.nlm.nih.gov/pubmed/30899446
http://dx.doi.org/10.1016/j.csbj.2019.02.008

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