DockVis: Visual Analysis of Molecular Docking Data

Katarína Furmanová, Barbora Kozlíková, Vojtěch Vonásek & Jan Byška
Molecular docking is one of the key mechanisms for predicting possible interactions between ligands and proteins. This highly complex task can be simulated by several software tools, providing the biochemists with possible ligand trajectories, which have to be subsequently explored and evaluated for their biochemical relevance. This paper focuses on aiding this exploration process by introducing DockVis visual analysis tool. DockVis operates primarily with the multivariate output data from one of the latest available tools...
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