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AutoSite: an automated approach for pseudo-ligands prediction—from ligand-binding sites identification to predicting key ligand atoms

Motivation: The identification of ligand-binding sites from a protein structure facilitates computational drug design and optimization, and protein function assignment. We introduce AutoSite: an efficient software tool for identifying ligand-binding sites and predicting pseudo ligand corresponding t...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Bioinformatics
Prif Awduron: Ravindranath, Pradeep Anand, Sanner, Michel F.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Oxford University Press 2016
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC5048065/
https://ncbi.nlm.nih.gov/pubmed/27354702
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/bioinformatics/btw367
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