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Extraction of protein binding pockets in close neighborhood of bound ligands makes comparisons simple due to inherent shape similarity.
J Chem Inf Model. 2014 Nov 24;54(11):3229-37. doi: 10.1021/ci500553a. Epub 2014 Nov 7.
J Chem Inf Model. 2014.
PMID: 25345905
GARLig: a fully automated tool for subset selection of large fragment spaces via a self-adaptive genetic algorithm.
Pfeffer P, Fober T, Hüllermeier E, Klebe G.
Pfeffer P, et al. Among authors: fober t.
J Chem Inf Model. 2010 Sep 27;50(9):1644-59. doi: 10.1021/ci9003305.
J Chem Inf Model. 2010.
PMID: 20795677
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Extended Graph-Based Models for Enhanced Similarity Search in Cavbase.
Krotzky T, Fober T, Hüllermeier E, Klebe G.
Krotzky T, et al. Among authors: fober t.
IEEE/ACM Trans Comput Biol Bioinform. 2014 Sep-Oct;11(5):878-90. doi: 10.1109/TCBB.2014.2325020.
IEEE/ACM Trans Comput Biol Bioinform. 2014.
PMID: 26356860
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Evolutionary construction of multiple graph alignments for the structural analysis of biomolecules.
Fober T, Mernberger M, Klebe G, Hüllermeier E.
Fober T, et al.
Bioinformatics. 2009 Aug 15;25(16):2110-7. doi: 10.1093/bioinformatics/btp144. Epub 2009 Mar 13.
Bioinformatics. 2009.
PMID: 19286830
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Superposition and alignment of labeled point clouds.
Fober T, Glinca S, Klebe G, Hüllermeier E.
Fober T, et al.
IEEE/ACM Trans Comput Biol Bioinform. 2011 Nov-Dec;8(6):1653-66. doi: 10.1109/TCBB.2011.42.
IEEE/ACM Trans Comput Biol Bioinform. 2011.
PMID: 21358005
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Fingerprint Kernels for Protein Structure Comparison.
Fober T, Mernberger M, Klebe G, Hüllermeier E.
Fober T, et al.
Mol Inform. 2012 Jul;31(6-7):443-52. doi: 10.1002/minf.201100149. Epub 2012 Jul 10.
Mol Inform. 2012.
PMID: 27477463
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Identification of Functionally Related Enzymes by Learning-to-Rank Methods.
Stock M, Fober T, Hüllermeier E, Glinca S, Klebe G, Pahikkala T, Airola A, De Baets B, Waegeman W.
Stock M, et al. Among authors: fober t.
IEEE/ACM Trans Comput Biol Bioinform. 2014 Nov-Dec;11(6):1157-69. doi: 10.1109/TCBB.2014.2338308.
IEEE/ACM Trans Comput Biol Bioinform. 2014.
PMID: 26357052
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GPU-Based Point Cloud Superpositioning for Structural Comparisons of Protein Binding Sites.
Leinweber M, Fober T, Freisleben B.
Leinweber M, et al. Among authors: fober t.
IEEE/ACM Trans Comput Biol Bioinform. 2018 May-Jun;15(3):740-752. doi: 10.1109/TCBB.2016.2625793. Epub 2016 Nov 7.
IEEE/ACM Trans Comput Biol Bioinform. 2018.
PMID: 27845672
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