Visualisierung komplexer, molekularer Zusammenhänge : 2D- und 3D-Moleküldarstellungen

Schomburg, Karen T.; Stierand, Katrin GND; Rarey, Matthias

Two-dimensional (2D) well-accepted structure diagrams convey the elemental build-up of molecules, while three-dimensional (3D) presentations show the arrangement in space and the overall shape of molecules. However, much more information can be annotated graphically: New methods show protein-ligand complexes well-arranged in 2D, annotate scoring values of docking calculations or evaluations of 3D molecule conformations and extend the standard structure diagram depiction to complex chemical patterns.

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Schomburg, Karen / Stierand, Katrin / Rarey, Matthias: Visualisierung komplexer, molekularer Zusammenhänge : 2D- und 3D-Moleküldarstellungen. 2013.

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