Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born Molecular Dynamics and End-Point Free Energy Calculations

[Image: see text] The comparative dynamics and inhibitor binding free energies of group-1 and group-2 pathogenic influenza A subtype neuraminidase (NA) enzymes are of fundamental biological interest and relevant to structure-based drug design studies for antiviral compounds. In this work, we present...

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Detalles Bibliográficos
Autores principales: Amaro, Rommie E., Cheng, Xiaolin, Ivanov, Ivaylo, Xu, Dong, McCammon, J. Andrew
Formato: Texto
Lenguaje:English
Publicado: American Chemical Society 2009
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2665887/
https://www.ncbi.nlm.nih.gov/pubmed/19296611
http://dx.doi.org/10.1021/ja8085643

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2665887/
https://www.ncbi.nlm.nih.gov/pubmed/19296611
http://dx.doi.org/10.1021/ja8085643

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