University of Cambridge > Talks.cam > Experimental and Computational Aspects of Structural Biology and Applications to Drug Discovery > Tools for refinement against low resolution X-ray data and fit to EM reconstructions

Tools for refinement against low resolution X-ray data and fit to EM reconstructions

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Abstract:

Accurate model building and refinement is one of the main components of X-ray crystal structure analysis and fit into single particle high resolution cryo-EM reconstructions. We have have developed several tools to increase reliability of models derived from low resolution refinement against X-ray crystallographic data and cryo-EM maps.These include using known crystal structures, information about secondary structures, RNA /DNA base pairing and base stacking interactions. We have also implemented reciprocal space version of real-space refinement against electron density and potential maps. In this talk a new software designed for designing accurate ligand description – ACEDRG that is based on extracted and organised information from the Crystallographic Open Database (COD) will also be described.

This talk is part of the Experimental and Computational Aspects of Structural Biology and Applications to Drug Discovery series.

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