Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1

Direct calculation of relative binding affinities between antibodies and antigens is a long-sought goal. However, despite substantial efforts, no generally applicable computational method has been described. Here, we describe a systematic free energy perturbation (FEP) protocol and calculate the bin...

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Detalles Bibliográficos
Autores principales: Clark, Anthony J., Gindin, Tatyana, Zhang, Baoshan, Wang, Lingle, Abel, Robert, Murret, Colleen S., Xu, Fang, Bao, Amy, Lu, Nina J., Zhou, Tongqing, Kwong, Peter D., Shapiro, Lawrence, Honig, Barry, Friesner, Richard A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5383735/
https://www.ncbi.nlm.nih.gov/pubmed/27908641
http://dx.doi.org/10.1016/j.jmb.2016.11.021

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5383735/
https://www.ncbi.nlm.nih.gov/pubmed/27908641
http://dx.doi.org/10.1016/j.jmb.2016.11.021

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