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Title: Protein Scaffolding for Small Molecule Catalysts

We aim to design hybrid catalysts for energy production and storage that combine the high specificity, affinity, and tunability of proteins with the potent chemical reactivities of small organometallic molecules. The widely used Rosetta and RosettaDesign methodologies will be extended to model novel protein / small molecule catalysts in which one or many small molecule active centers are supported and coordinated by protein scaffolding. The promise of such hybrid molecular systems will be demonstrated with the nickel-phosphine hydrogenase of DuBois et. al.We will enhance the hydrogenase activity of the catalyst by designing protein scaffolds that incorporate proton relays and systematically modulate the local environment of the catalyticcenter. In collaboration with DuBois and Shaw, the designs will be experimentally synthesized and characterized.
Authors:
 [1]
  1. Univ. of Washington, Seattle, WA (United States)
Publication Date:
OSTI Identifier:
1178934
Report Number(s):
DOE-UW--0005155
DOE Contract Number:
SC0005155
Resource Type:
Technical Report
Research Org:
Univ. of Washington, Seattle, WA (United States)
Sponsoring Org:
USDOE
Contributing Orgs:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 59 BASIC BIOLOGICAL SCIENCES; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY