Toward a molecular picture of some key phenomena involved in the emergence of life: from thermophoresis to enzyme thermal adaptation
Guillaume Stirnemann (CNRS, Laboratoire de Biochimie Théorique)
The emergence of life is one of the most fascinating and yet largely unsolved questions in the natural sciences, and thus a significant challenge for scientists from many disciplines. I will present some of our recent results that specifically address two major issues using a computational approach that relies on techniques ranging from quantum calculations to large-scale all-atom simulations, employed together with efficient enhanced-sampling algorithms.
In the first part, I will discuss our recent investigation of the poorly-understood thermally-driven process of thermophoresis, which was shown to be an efficient process for the accumulation of dilute precursors in the absence of biological compartments. I will show how our molecular simulations and calculations can shed light on the molecular mechanisms associated with thermodiffusion.
In the second part, I will discuss our recent investigations of the enzyme thermal adaptation. There is increasing experimental evidence that it involves complex changes in both structural and reactive properties. I will show how we can obtain a quantitative molecular description of the stability and catalytic activity shifts between homologs using molecular simulations and modelling. We eventually propose a general model that provides a molecular explanation of changes in optimum temperatures for other enzymes.
The seminar will be hybrid and the non-members of the lab can attend at the zoom link:
*Remote connection details*
https://us02web.zoom.us/j/83595816412?pwd=Q1VNbEdPcFMvNm9rSkpXRFRSZmlTUT09
Meeting ID: 835 9581 6412
Passcode: 399084
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