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Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules

Druggability assessment of a target protein has emerged in recent years as an important concept in hit-to-lead optimization. A reliable and physically relevant measure of druggability would allow informed decisions on the risk of investing in a particular target. Here, we define “druggability” as a...

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Main Authors: Bakan, Ahmet, Nevins, Neysa, Lakdawala, Ami S., Bahar, Ivet
פורמט: Artigo
שפה:Inglês
יצא לאור: American Chemical Society 2012
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC3392909/
https://ncbi.nlm.nih.gov/pubmed/22798729
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300117j
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