Tools for the "Big Guys": Towards Registration of Large Bio-Molecules
Today’s drug development is challenged with the increasing interlacing of biological and synthetical processes. HELM, an emerging notation standard created by Pfizer scientists for the representation of a wide range of large biomolecular entities has recently been made freely available by the Pistoia Alliance. Its main driver being the capability to express these Biologics in a concise format on various abstraction levels, from exposing the modularity of multi-component entities, to sequence representation of natural and un-natural residues, and further down to exact atomical description of post-translational modifications and other chemical features. This presentation will demonstrate an early version of a novel webservice-based toolkit, which leverages simple structure-driven registration of large biomolecules by integrating the Open Source HELM tools – a reference implementation consisting of a notation toolkit and a graphical editor for drawing these molecules – with JChem Base and Marvin components.