Computational energy-based redesign of robust proteins

10 years 6 months ago
Computational energy-based redesign of robust proteins
The robustness of a system is a property that pervades all aspects of Nature. The ability of a system to adapt itself to perturbations due to internal and external agents, to aging, to wear, to environmental changes is one of the driving forces of evolution and a fundamental design principle. At the molecular level, understanding the robustness of a protein has a great impact on the in silicon design of polypeptide chains and drugs; the chance of computationally checking the ability of a protein to preserve its structure and function in the native state can lead to the design of new compounds that can work in a living cell more effectively. Inspired by the well known robustness analysis framework used in Electronic Design Automation, we introduced a notion of robustness for proteins and two dimensionless quantities: the energetic robustness and the energetic relative entropy. We used the energetic robustness in order to quantify the yield of a protein in terms of potential energy, an...
Giovanni Stracquadanio, Giuseppe Nicosia
Added 28 May 2011
Updated 28 May 2011
Type Journal
Year 2011
Where CCE
Authors Giovanni Stracquadanio, Giuseppe Nicosia
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