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Computational Design of Nanobody Binding to Cortisol to Improve Their Binding Affinity Using Molecular Docking and Molecular Dynamics Simulations

Currently, nanobody binding cortisol has been deposited in the database. Unfortunately, the affinity is still in micromolar order. Substituting hydrophobic residues in the binding pocket and utilizing CDR2 and CDR3 is the strategy to improve the affinity. A single and double substitution at position...

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Detalhes bibliográficos
Main Authors: Umi Baroroh, Nur Asni Setiani, Irma Mardiah, Dewi Astriany, Muhammad Yusuf
Formato: Artigo
Idioma:Inglês
Publicado em: Department of Chemistry, Universitas Gadjah Mada 2022-03-01
Colecção:Indonesian Journal of Chemistry
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Acesso em linha:https://jurnal.ugm.ac.id/ijc/article/view/71480
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