Binding sensitivity of adefovir to the polymerase from different genotypes of HBV: molecular modeling, docking and dynamics simulation studies

AIM: To investigate the molecular mechanisms underlying the influence of DNA polymerase from different genotypes of hepatitis B virus (HBV) on the binding affinity of adefovir (ADV). METHODS: Computational approaches, including homology modeling, docking, MD simulation and MM/PBSA free energy analys...

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Detalhes bibliográficos
Main Authors: Li, Jing, Du, Yun, Liu, Xian, Shen, Qian-cheng, Huang, Ai-long, Zheng, Ming-yue, Luo, Xiao-min, Jiang, Hua-liang
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2013
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Original Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4011611/
https://ncbi.nlm.nih.gov/pubmed/23202802
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/aps.2012.146
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