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Comparison of docking packages: performance against the Astex Diverse Set
In this study we identify which GOLD scoring function performs best for pose prediction and compare GOLD’s performance against other docking packages.
Last Modified: 14/02/2012 PDF
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GOLD scoring function performance against the DUD decoy/active set
In this study we identify which scoring function performs best overall for Virtual Screening applications, and which may be best applied to certain target classes.
Last Modified: 14/02/2012 PDF
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Deriving a receptor based QSAR model using docking data
The objective of the study is to demonstrate the utility of using GOLD-derived 3D-parameters along with other external 2D-data to illuminate a quantitative understanding of the SAR of a series of potent serine protease inhibitors. It also serves to highlight the ease with which these various data can be handled and displayed in the fully integrated piece of software, GoldMine.
Last Modified: 14/02/2012 PDF
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Validation of Docking Poses via Interaction Motif Searching
Given a set of docking poses for a single ligand can we separate correct poses from high scoring but incorrect poses by comparing protein-ligand interaction motifs?
Last Modified: 14/02/2012 PDF