A general introduction to molecular modelling techniques in the area of protein–ligand interactions is given. Methods covered range from binding-site analysis to statistical treatment of sets of ligands. The main focus of this paper is on docking and scoring. After an outline of the main concepts, two specific application examples are given.
Conference Article| October 01 2003
Molecular modelling probes: docking and scoring
Biochem Soc Trans (2003) 31 (5): 980–984.
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R.T. Kroemer; Molecular modelling probes: docking and scoring. Biochem Soc Trans 1 October 2003; 31 (5): 980–984. doi: https://doi.org/10.1042/bst0310980
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