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Fast protein binding site comparison via an index-based screening technology.
J Chem Inf Model. 2013 Feb 25;53(2):411-22. doi: 10.1021/ci300469h. Epub 2013 Feb 7.
J Chem Inf Model. 2013.
PMID: 23390978
Searching for recursively defined generic chemical patterns in nonenumerated fragment spaces.
Ehrlich HC, Henzler AM, Rarey M.
Ehrlich HC, et al. Among authors: henzler am.
J Chem Inf Model. 2013 Jul 22;53(7):1676-88. doi: 10.1021/ci400107k. Epub 2013 Jul 9.
J Chem Inf Model. 2013.
PMID: 23751070
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Facing the challenges of structure-based target prediction by inverse virtual screening.
Schomburg KT, Bietz S, Briem H, Henzler AM, Urbaczek S, Rarey M.
Schomburg KT, et al. Among authors: henzler am.
J Chem Inf Model. 2014 Jun 23;54(6):1676-86. doi: 10.1021/ci500130e. Epub 2014 May 22.
J Chem Inf Model. 2014.
PMID: 24851945
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An integrated approach to knowledge-driven structure-based virtual screening.
Henzler AM, Urbaczek S, Hilbig M, Rarey M.
Henzler AM, et al.
J Comput Aided Mol Des. 2014 Sep;28(9):927-39. doi: 10.1007/s10822-014-9769-4. Epub 2014 Jul 4.
J Comput Aided Mol Des. 2014.
PMID: 24993405
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In Pursuit of Fully Flexible Protein-Ligand Docking: Modeling the Bilateral Mechanism of Binding.
Henzler AM, Rarey M.
Henzler AM, et al.
Mol Inform. 2010 Mar 15;29(3):164-73. doi: 10.1002/minf.200900078. Epub 2010 Feb 19.
Mol Inform. 2010.
PMID: 27462760
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