Development of Multiscale Models for Complex Chemical Systems: From H+H2 to Biomolecules (Nobel Lecture)1. Issue 38 (27th July 2014)

• Record Type: Journal Article
• Authors: Karplus, Martin
• Is Part Of: Angewandte Chemie international edition. Volume 53:Issue 38(2014)
• Page Start: 9992
• Page End: 10005
• Publication Date: 2014-07-27
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201403924
• Languages: English
• ISSNs: 1433-7851

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>Although the laws governing the motions</bold> of atoms are quantum mechanical, the key realization that made possible the simulation of the dynamics of complex systems, including biomolecules, was that a classical mechanical description of the atomic motions is adequate in most cases. From M. Karplus' own perspective, this realization was derived from calculations on the symmetric exchange reaction, H+H₂→H₂+H.<boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgh1c44bdqw" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>