Hi Everyone,
Tomorrow Adrian will be giving group meeting. We'll meet at 2pm in the
Division Room. Adrian's talk title and abstract is included below.
======================================================
Quantum chemical estimates of metabolic Gibbs reaction energies
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In the field of systems biology, estimates of Gibbs reaction energies
of metabolic reactions are extremely useful. They are routinely used
to model cellular metabolism and to engineering synthetic pathways for
production of useful compounds. However, current sources of data -
experimental values and Group Contribution Methods - suffer from
several disadvantages. I will discuss the progress we've made towards
implementing robust and cost-efficient methods to estimate deltaG's
with computational quantum chemistry.
--
Ryan Babbush | PhD Student in Physics
(949) 331-3943 | babbush(a)fas.harvard.edu
Harvard University | Aspuru-Guzik Group
12 Oxford Street | Cambridge, MA 02138
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