Computer Modelers Secure Chemistry Nobels

ananyo writes "One day, computers may be able to simulate exactly how enzymes, ion channels, viruses, DNA and other complex biological molecules react with each other inside a cell. And if such a software package is ever written, it will owe its development to three researchers who today won the Nobel Prize in Chemistry: Martin Karplus, of Harvard University and the University of Strasbourg, Michael Levitt, of Stanford University, and Arieh Warshel, of the University of Southern California in Los Angeles. Starting in the 1970s — working with computers far less powerful than today's smartphones — the three theorists made advances in computer modeling that laid the foundations for modern software used to simulate protein folding, design drugs and even artificial enzymes, and understand the workings of complex catalysts. In essence, says Sven Lidin, the chairman of the Nobel committee, they 'took the chemical experiment to cyberspace.'"

Re:Just wondering...

[ibmleninpro]

Kohn & Pople's prize in 1998 is probably the closest in relation. Pople's work on ab initio methodology is directly related to the GAUSSIAN [gaussian.com] quantum chemistry suite, and when he become unassociated with GAUSSIAN due to disputes (and was subsequently "banned" from using GAUSSIAN ever again, see this site [bannedbygaussian.org] for criticism regarding this -- note that for some reason Chrome is saying this is a dangerous site though I've been on it many times, so click at your own discretion -- or just google it) he went and started the Q-Chem [q-chem.com] program suite.

I don't think Kohn was ever associated with any quantum chemistry program suite like Pople, but he was one of the key players in the development of density functional theory, which is available in pretty much every quantum chemistry suite and used by a vast majority of chemists who use calculations in their work.

Re:Too late Nobel committee

[methano]

The peace prize is actually awarded by a Norwegian group and the science prizes by Swedes. So you can keep your respect for the science prizes and still cling to your crappy politics. Lucky you.