Talks on non-standard peptides and normalising ELN reactions from the Dallas ACS

At the recent ACS National Meeting in Dallas, Roger presented two talks describing our recent work in the areas of biologic representation and standardization of ELN reactions.

1. Representation and display of non-standard peptides using semi-systematic amino acid monomer naming
The registration of peptide and peptide-like structures in chemical databases poses a number of technical challenges. In particular, for post-translationally modified, D-, cyclic and non-standard peptides, we propose the use of semi-systematic monomer names, based upon readily recognizable chemical line formulae, for the encoding and display of traditionally difficult to handle peptides. These rules lead to amino acid names such as N(Me)Ser(tBuOH) that are similar to those seen/used in vendor catalogs and scientific publications.

2. Standardized Representations of ELN Reactions for Categorization and Duplicate/Variation Identification
In an ELN, there is no intrinsic notion of a duplicate, and each experiment is represented by its own notebook page. Here we describe approaches and challenges to identifying reaction ‘variations’ in large reaction databases.

For more talks from NextMove Software, see our Slideshare page.

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