A Computational Simulation Study of Benzamidine Derivatives Binding to Arginine-Specific Gingipain (HRgpA) from Periodontopathogen Porphyromonas gingivalis

We have shown that the binding free energy calculation from molecular dynamics can be adapted successfully to cysteine proteinases, such as arginine-specific gingipain (HRgpA) from Porphyromonas gingivalis. The binding free energy obtained is in good agreement with the available experimental data fo...

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Detalles Bibliográficos
Autores principales: Kim, Dooil, Lee, Dae-Sil
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2010
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2956092/
https://www.ncbi.nlm.nih.gov/pubmed/20957091
http://dx.doi.org/10.3390/ijms11093252

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2956092/
https://www.ncbi.nlm.nih.gov/pubmed/20957091
http://dx.doi.org/10.3390/ijms11093252

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