Evaluation of log P, pK(a), and log D predictions from the SAMPL7 blind challenge

The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the computational modeling community on areas in need of improvement for rational drug design. The SAMPL7 physical property challenge dealt with prediction of octanol-water partition coefficients and pK(a) for...

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Detalles Bibliográficos
Autores principales: Bergazin, Teresa Danielle, Tielker, Nicolas, Zhang, Yingying, Mao, Junjun, Gunner, M. R., Francisco, Karol, Ballatore, Carlo, Kast, Stefan M., Mobley, David L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8224998/
https://www.ncbi.nlm.nih.gov/pubmed/34169394
http://dx.doi.org/10.1007/s10822-021-00397-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8224998/
https://www.ncbi.nlm.nih.gov/pubmed/34169394
http://dx.doi.org/10.1007/s10822-021-00397-3

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