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Interaction of HIV-1 aspartic protease with its inhibitor, by molecular dynamics and ab initio fragment molecular orbital method

For the three complex crystal structures of HIV-1 aspartic protease (an enzyme of AIDS) with its inhibitor in the Protein Data Bank, molecular dynamics of the generalized Born surface area and the ab initio fragment molecular orbital of an ABINIT-MP calculation was performed to obtain the binding fr...

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Detalles Bibliográficos
Autores principales: Koyano, Kazuo, Nakano, Tatsuya
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2394819/
https://www.ncbi.nlm.nih.gov/pubmed/18421148
http://dx.doi.org/10.1107/S0909049507068586

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