Dynameomics Entropy Dictionary

Prior to arriving at Bradford, I had gained postdoctoral experience in the Daggett Lab over in the USA. During that time I worked on many interesting projects with respect to amino acid conformational propensities and properties across protein fold space.

The most recent offering from the Dynameomics Initiative run by the Daggett lab at the University of Washington in Seattle is now available. This article details a large-scale analysis of conformational entropy I performed during my postdoc using molecular dynamics simulations of 807 protein folds. The 807 folds selected were taken from the Consensus Domain Dictionary (CDD), also generated by the Daggett Lab that represented 97% of known autonomous protein folds. Hence, this analysis provides an overview of conformational entropy across all of currently known protein fold space and allowed us to create tables of amino acid entropies we call the Dynameomics Entropy Dictionary (DED).

The recent paper on conformational entropy can be found here:

The Dynameomics Entropy Dictionary: A Large-Scale Assessment of Conformational Entropy across Protein Fold Space

Related papers from the Daggett Lab:

Generation of a consensus domain dictionary

A consensus view of fold space: Combining SCOP, CATH and the Dali Domain Dictionary

Featured image reprinted with permission from J. Phys. Chem. B, 2017, 121 (16), pp 3933–3945 (DOI: 10.1021/acs.jpcb.7b00577). Copyright 2017 American Chemical Society.