Journal
BIOINFORMATICS
Volume 33, Issue 4, Pages 583-585Publisher
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btw677
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Funding
- Consejeria de Educacion (Junta de Castilla y Leon)
- FEDER funds [SA147U13, SA030U16]
- Universidad Autonoma de Tamaulipas
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Motivation: AutoDock is a very popular software package for docking and virtual screening. However, currently it is hard work to visualize more than one result from the virtual screening at a time. To overcome this limitation we have designed JADOPPT, a tool for automatically preparing and processing multiple ligand-protein docked poses obtained from AutoDock. It allows the simultaneous visual assessment and comparison of multiple poses through clustering methods. Moreover, it permits the representation of reference ligands with known binding modes, binding site residues, highly scoring regions for the ligand, and the calculated binding energy of the best ranked results.
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