Prediction of Ligand Transport along Hydrophobic Enzyme Nanochannels

Buried active sites of enzymes are connected to the bulk solvent through a network of hydrophobic channels. We developed a discretized model that can accurately predict ligand transport along hydrophobic channels up to six orders of magnitude faster than any other existing method. The non-dimensiona...

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Detalles Bibliográficos
Autores principales: Escalante, Diego E., Aksan, Alptekin
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/PMC6606821/
https://www.ncbi.nlm.nih.gov/pubmed/31303980
http://dx.doi.org/10.1016/j.csbj.2019.06.001

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6606821/
https://www.ncbi.nlm.nih.gov/pubmed/31303980
http://dx.doi.org/10.1016/j.csbj.2019.06.001

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