ALADDIN: Docking Approach Augmented by Machine Learning for Protein Structure Selection Yields Superior Virtual Screening Performance

Protein flexibility and solvation pose major challenges to docking algorithms and scoring functions. One established strategy for addressing these challenges is to use multiple protein conformations for docking (all‐against‐all ensemble docking). Recent studies have shown that the performance of ens...

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Detalles Bibliográficos
Autores principales: Fan, Ningning, Bauer, Christoph A., Stork, Conrad, de Bruyn Kops, Christina, Kirchmair, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2019
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7187304/
https://www.ncbi.nlm.nih.gov/pubmed/31663691
http://dx.doi.org/10.1002/minf.201900103

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7187304/
https://www.ncbi.nlm.nih.gov/pubmed/31663691
http://dx.doi.org/10.1002/minf.201900103

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