Biological communication via molecular surfaces

Tim Clark, K. Byler, M. De Groot

Research output: Contribution to conferencePaperpeer-review

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Abstract

The use and characteristics of local properties designed to describe intermolecular interactions projected onto molecular surfaces and based on semiempirical molecular orbital theory are described. After a discussion of the local properties themselves and their relationship to intermolecular interactions and chemical reactivity, two applications are described. The first, surface-integral models for physical properties, involve integrating a functional of the local properties over the molecular surface. In the second example, we discuss a possible approach to determining the potential specificity of biological interactions based on Shannon's theory of communication.
Original languageEnglish
Pages129-146
Number of pages18
Publication statusPublished - 2006
EventMolecular interactions: bringing chemistry to life: proceedings of the International Beilstein Workshop - Bozen, Italy
Duration: 15 May 200619 May 2006

Conference

ConferenceMolecular interactions: bringing chemistry to life: proceedings of the International Beilstein Workshop
Country/TerritoryItaly
CityBozen
Period15/05/0619/05/06

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