Document Type

Article

Publication Date

2-2014

DOI

10.1073/pnas.1320569110

Abstract

The 2013 Nobel Prize in Chemistry was awarded to three scientists, Martin Karplus, Michael Levitt, and Arieh Warshel, in recognition of their work in developing sophisticated computer models that can predict and explain complex chemical processes. Newtonian physics can be applied to understanding the properties of macromolecules, but it cannot be used to model the extremely rapid changes that occur during chemical reactions. Quantum physics can be used to describe the instantaneous changes that happen at reaction sites; however, quantum calculations are extremely demanding of computing resources. The novel idea behind the 2013 award is the combination of both classical Newtonian physics and quantum mechanics to model chemical reactions within large molecules, or what the Royal Swedish Academy has described as “multiscale models for complex chemical systems.”

Figure 4 Martin Karplus number of published items per year.docx (82 kB)
Figure 4. Karplus number of published items per year

Figure 5 Michael Levitt number of published items per year.docx (68 kB)
Figure 5. Levitt number of published items per year

Figure 6 Arieh Warshel number of published items per year.docx (80 kB)
Figure 6. Warshel number of published items per year.

Table 1 Martin Karplus Journals Published in Most Frequently with Impact Factors revised.docx (15 kB)
Table 1. Karplus journals published in most frequently with impact factors

Table 2 Michael Levitt Journals Published in Most Frequently with Impact Factors revised.docx (15 kB)
Table 2. Levitt journals published in most frequently with impact factors

Table 3 Arieh Warshel Journals Published in Most Frequently with Impact Factors revised.docx (15 kB)
Table 3. Warshel journals published in most frequently with impact factors

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