Hi everyone,
This week, Adrian will be giving us group meeting. Please see below for the
title and abstract of his talk.
*Also, please note the later group meeting time: 3pm.*
Jennifer
---------------------------------------------
Predicting and measuring Gibbs free energies of metabolic reactions
There exist ~6000 metabolic reactions in cells, but we only have
measurements of equilibrium constants (Keq) for around 10% of these. System
biologists and metabolic engineers would like to get their hands on
accurate values for these thermodynamic parameters. I will talk about our
work in two fronts:
1) Designing experimental approaches for high-throughput measurements of
equilibrium constants (in collaboration with Arren Bar-Even at the Max
Planck Institute)
2) Efforts to predict Keq's using quantum chemistry, with a focus on new
small basis set (HF-3C) and linear scaling coupled cluster (DLPNO) methods.
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