DocumentCode :
2448197
Title :
New man-machine communication strategies in molecular modelling
Author :
Brickman, J. ; Heiden, Wolfgang ; Vollhardt, Horst ; Zachmann, Carl-Dieter
Author_Institution :
Inst. fur Phys. Chem., Tech. Hochschule Darmstadt, Germany
Volume :
5
fYear :
1995
fDate :
3-6 Jan 1995
Firstpage :
273
Abstract :
New strategies for the use of interactive computer graphics for man-machine communication in the field of molecular modelling are described. It is shown that in particular the concept of molecular surfaces is very helpful for the discussion of specific intermolecular interactions: attractive and repulsive forces towards an interaction partner can be mapped by color coding on the molecular surface. It is demonstrated that additional quantities describing local hydrophobicity, surface roughness, surface topography, and surface flexibility can be introduced on the basis of empirical findings and that these new quantities can be very helpful for an understanding of molecular recognition. New computer graphics technologies (texture mapping) and the quantification of intermolecular interactions lead to an extension of the model scenarios used in correlation analysis in chemistry
Keywords :
biology computing; chemistry; chemistry computing; computer graphics; interactive systems; molecular biophysics; user interfaces; attractive force; chemistry; color coding; computer graphics; correlation analysis; interactive computer graphics; intermolecular interactions; local hydrophobicity; man-machine communication strategies; model scenarios; molecular modelling; molecular recognition; molecular surface; molecular surfaces; repulsive force; surface flexibility; surface roughness; surface topography; texture mapping; Biological system modeling; Biology computing; Chemical technology; Chemistry; Humans; Man machine systems; Rough surfaces; Surface roughness; Surface topography; Workstations;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
System Sciences, 1995. Proceedings of the Twenty-Eighth Hawaii International Conference on
Conference_Location :
Wailea, HI
Print_ISBN :
0-8186-6930-6
Type :
conf
DOI :
10.1109/HICSS.1995.375329
Filename :
375329
Link To Document :
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