Construction of a Full-Atomic Mechanistic Model of Human Apurinic/Apyrimidinic Endonuclease APE1 for Virtual Screening of Novel Inhibitors


A full-atomic molecular model of human apurinic/apyrimidinic endonuclease APE1, an important enzyme in the DNA repair system, has been constructed. The research consisted of hybrid quantum mechanics/molecular mechanics modeling of the enzyme-substrate interactions, as well as calculations of the ion...

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Detalles Bibliográficos
Autores principales: Khaliullin, I.G., Nilov, D.K., Shapovalova, I.V., Švedas, V.K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: A.I. Gordeyev 2012
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3408706/
https://www.ncbi.nlm.nih.gov/pubmed/22872814

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3408706/
https://www.ncbi.nlm.nih.gov/pubmed/22872814

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