Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation

Fragment-based drug discovery using NMR and x-ray crystallographic methods has proven utility but also non-trivial time, materials, and labor costs. Current computational fragment-based approaches circumvent these issues but suffer from limited representations of protein flexibility and solvation ef...

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Detalles Bibliográficos
Autores principales: Guvench, Olgun, MacKerell, Alexander D.
Formato: Texto
Lenguaje:English
Publicado: Public Library of Science 2009
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2700966/
https://www.ncbi.nlm.nih.gov/pubmed/19593374
http://dx.doi.org/10.1371/journal.pcbi.1000435

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2700966/
https://www.ncbi.nlm.nih.gov/pubmed/19593374
http://dx.doi.org/10.1371/journal.pcbi.1000435

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