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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...

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Bibliografske podrobnosti
Main Authors: Muddana, Hari S., Fenley, Andrew T., Mobley, David L., Gilson, Michael K.
Format: Artigo
Jezik:Inglês
Izdano: 2014
Teme:
Online dostop: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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