Contributions to Science, Vol 6, No 2 (2010)

The impact of theoretical chemistry on biology

Modesto Orozco, F. Javier Luque


Summary. Recent advances in theoretical formalism together
with the dramatic development of computer infrastructure have
allowed enormous progress in achieving the dream of the
founders of chemistry: to submit the majority of chemical phenomena to calculation. Currently, theoretical chemistry is working towards reaching the next step: to become the ultimate tool to understand the chemical nature of living organisms. This review summarizes how techniques originally developed to represent small molecules in the gas phase have evolved such
that they are able to describe the complex behaviors of biological

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ISSN: 2013-410X (electronic edition); 1575-6343 (print edition)