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Updated: Jun 24, 2026

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry
Published on: November 29, 2013
Interaction Analysis using the Cambridge Structural Database - rapid access to intermolecular hydrogen-bond
Joanna S Stevens1, Andrew G P Maloney1, Elna Pidcock1
1The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK.
Abstract:
A new methodology to perform virtual coformer screening, utilising data gathered on hydrogen-bonding interactions present in the organic subset of the Cambridge Structural Database (CSD), is presented. From a target molecule, commonly interacting functional groups are identified from the CSD and appropriate coformers, containing those functional groups, are suggested. The method, available as a script in Mercury, provides a quick and data-driven approach to coformer selection.
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