Multivariate PLS Modeling of Apicomplexan FabD-Ligand Interaction Space for Mapping Target-Specific Chemical Space and Pharmacophore Fingerprints

Biomolecular recognition underlying drug-target interactions is determined by both binding affinity and specificity. Whilst, quantification of binding efficacy is possible, determining specificity remains a challenge, as it requires affinity data for multiple targets with the same ligand dataset. Th...

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Detalles Bibliográficos
Autores principales: Mamidi, Ashalatha Sreshty, Arora, Prerna, Surolia, Avadhesha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4633102/
https://www.ncbi.nlm.nih.gov/pubmed/26535573
http://dx.doi.org/10.1371/journal.pone.0141674

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4633102/
https://www.ncbi.nlm.nih.gov/pubmed/26535573
http://dx.doi.org/10.1371/journal.pone.0141674

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