Titlebook: Computational Methods for GPCR Drug Discovery; Alexander Heifetz Book 2018 Springer Science+Business Media LLC 2018 G protein-coupled rece

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Otger Autrata,Bringfriede Scheuation data. The steps required to prepare a database of molecules for successful use with ROCS and EON are described and selected examples of their application in prospective lead discovery experiments are summarized.

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Susanne Wurm,Anne Blawert,Sarah K. Sch?ferThe following chapter examines some of the current “state-of-the-art” tools for predicting, scoring, and examining explicit water molecules in proteins and protein/ligand complexes, highlighting some of the ways information can be readily examined in a manner that is useful in a drug discovery process.

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