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The SAMPL4 host–guest blind prediction challenge: an overview

Prospective validation of methods for computing binding affinities can help assess their predictive power and thus set reasonable expectations for their performance in drug design applications. Supramolecular host–guest systems are excellent model systems for testing such affinity prediction methods...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Muddana, Hari S., Fenley, Andrew T., Mobley, David L., Gilson, Michael K.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2014
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC4053502/
https://ncbi.nlm.nih.gov/pubmed/24599514
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9735-1
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