A fast and robust torsion bond analyser has been created for the analysis of torsion strain in small molecules bound to proteins. DesertSci software uses SMARTS based ligand atom matching and a hierarchical ...

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New tools for the identification, classification, annotation and exploration of biologics entities have been added to the Proasis suite. These include automated methods for the comprehensive annotation of al...

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DesertSci is pleased to announce the latest developments for Viper Ligand Design: - fine-grained torsion sampling based on SMARTS patterns to minimise torsion strain - objective function for pose relaxati...

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