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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5.
J Cheminform. 2016.
PMID: 29270804
Free PMC article.
No abstract available.
Extraction of protein binding pockets in close neighborhood of bound ligands makes comparisons simple due to inherent shape similarity.
Krotzky T, Rickmeyer T, Fober T, Klebe G.
Krotzky T, et al.
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
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Large-scale mining for similar protein binding pockets: with RAPMAD retrieval on the fly becomes real.
Krotzky T, Grunwald C, Egerland U, Klebe G.
Krotzky T, et al.
J Chem Inf Model. 2015 Jan 26;55(1):165-79. doi: 10.1021/ci5005898. Epub 2014 Dec 18.
J Chem Inf Model. 2015.
PMID: 25474400
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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.
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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One Question, Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists.
Schiebel J, Radeva N, Köster H, Metz A, Krotzky T, Kuhnert M, Diederich WE, Heine A, Neumann L, Atmanene C, Roecklin D, Vivat-Hannah V, Renaud JP, Meinecke R, Schlinck N, Sitte A, Popp F, Zeeb M, Klebe G.
Schiebel J, et al. Among authors: krotzky t.
ChemMedChem. 2015 Sep;10(9):1511-21. doi: 10.1002/cmdc.201500267. Epub 2015 Aug 10.
ChemMedChem. 2015.
PMID: 26259992
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Acceleration of Binding Site Comparisons by Graph Partitioning.
Krotzky T, Klebe G.
Krotzky T, et al.
Mol Inform. 2015 Aug;34(8):550-8. doi: 10.1002/minf.201500028. Epub 2015 Jun 19.
Mol Inform. 2015.
PMID: 27490500
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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Ache…
See abstract for full author list ➔
Fechner U, et al. Among authors: krotzky t.
J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5.
J Cheminform. 2016.
PMID: 29270804
Free PMC article.
No abstract available.
Item in Clipboard
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