Connecting dots: Bio-molecule registration using HELM and ChemAxon tools

May 2014 Author: ()

This presentation will demonstrate a preview version of a novel webservice-based toolkit, which features simple structure-driven registration of a diverse set of complex macromolecules such as oligonucleotides, proteins, antibodies, antibody-drug conjugates, etc., including those containing unnatural and chemically-modified components, and a basic search facility to retrieve registered macromolecules based on a combination of biological sequence motifs and chemical features, i.e. post-translational modifications.

This toolkit enables management of biomolecule information in views common to the chemistry (full atom representation) and biology (sequence representation) domains parallely in a single datastore, and exchanging this information in a standardized format with collaborators. It leverages the Open Source HELM tools together with JChem Base and Marvin components to address this gap in traditional informatics tools.