Please use these original articles to cite our software in your publications.
LigandScout
- Wolber, G.; Langer, T.; LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters J. Chem. Inf. Model; 2005; 45(1); 160-169. DOI: 10.1021/ci049885e. Available from Inte:Ligand (https://www.inteligand.com).
LigandScout Remote
IL NeuroDeRisk Toolbox
- Bryant, S. D., Ibis, G., Seidel, T., Kohlbacher, S. M., Heider, J., Ernst, M., ... & Langer, T. (2022). The NeuroDeRisk toolbox: DeRisking chemical structures for neurotoxic adverse outcomes. Toxicology Letters, 368(Suppl. 1), 82. DOI: 10.1016/j.toxlet.2022.07.239. Available from Inte:Ligand (https://www.inteligand.com).
IL PharmDB
- Steindl, T. M; Schuster, D.; Laggner, C.; Langer, T.; Parallel screening: a novel concept in pharmacophore modeling and virtual screening J. Chem. Inf. Model; 2006; 46(5); 2146-2157. DOI: 10.1021/ci6002043. Available from Inte:Ligand (https://www.inteligand.com).
- Bryant, S.D. and Langer, T. Data Mining Using Ligand Profiling and Target Fishing. (2013). In Data Mining in Drug Discovery pp. 257-270. (eds. R.D. Hoffmann, A. Gohier and P. Pospisil). DOI: 10.1002/9783527655984.ch11
ilib:diverse
- G. Wolber and T. Langer. CombiGen: A novel software package for the rapid generation of virtual combinatorial libraries. In H.-D. Höltje and W. Sippl, editors, Rational approaches to drug design, pp 390-399. Prous Science, 2000. Available from Inte:Ligand (https://www.inteligand.com).