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Introduction to Mogul, Full Interaction Maps & Crystal Packing Feature Search
A self-guided workshop for some popular Mercury tools: Mogul, Full Interaction Maps and the Crystal Packing Feature Search.
Last Modified: 22/05/2019 PDF
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Exploring Mercury
This presentation provides some tips and tricks about Mercury including some commonly overlooked features
Last Modified: 25/04/2019 PDF
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Structure Visualisations
Last Modified: 15/04/2019 PDF
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CSD Release & Installation Notes (2019)
Last Modified: 22/11/2018 PDF
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Mercury User Guide (2019)
Last Modified: 22/11/2018 PDF
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CSD Release and Installation Notes (2016)
Last Modified: 12/11/2015 PDF
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Guiding Crystal Habit Modification using Full Interaction Maps
An application example illustrating how the Full Interaction Maps functionality in Mercury can be used to investigate preferred interaction patterns in differing crystal growth directions and thus enable strategies for control of crystal morphology.Last Modified: 12/11/2014 PDF
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Understanding Polymorph Stability using Full Interaction Maps
An application example illustrating how to use the Full Interaction Maps functionality in Mercury to gain a better understanding of relative stabilities of different crystal forms by assessing how satisfied the preferred intermolecular interactions are in the lattice.
Last Modified: 12/11/2014 PDF
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Scaffold-hopping and fragment-linking using the Cambridge Structural Database
In this study we illustrate use of the Cambridge Structural Database to provide ideas for novel scaffolds giving an active inhibitor of known binding mode. Also, we identify good linkers between two fragments binding in different parts of the active site.
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