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Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus.

Reker, Daniel ; Rodrigues, Tiago ; Schneider, Petra ; Schneider, Gisbert Reker, Daniel (correspondence author) ; Reker, Daniel (record owner)

Proceedings of the National Academy of Sciences of the United States of America, March 18, 2014, Vol.111(11), pp.4067-4072 [Peer Reviewed Journal]

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Designing the molecular future.(Report)

Schneider, Gisbert

Journal of Computer-Aided Molecular Design, Jan, 2012, Vol.26(1), p.115(6) [Peer Reviewed Journal]

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In Silico Adoption of an Orphan Nuclear Receptor NR4A1

Harald Lanig ; Felix Reisen ; David Whitley ; Gisbert Schneider ; Lee Banting ; Timothy Clark

PLoS ONE, Vol.10(8), p.e0135246 [Peer Reviewed Journal]

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Virtual screening: an endless staircase?

Gisbert Schneider

Nature Reviews Drug Discovery, 2010, Vol.9(4), p.273 [Peer Reviewed Journal]

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De Novo Design at the Edge of Chaos.

Schneider, Petra ; Schneider, Gisbert Schneider, Petra (correspondence author) ; Schneider, Petra (record owner)

Journal of medicinal chemistry, May 12, 2016, Vol.59(9), pp.4077-4086 [Peer Reviewed Journal]

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Privileged Structures Revisited

Schneider, Petra ; Schneider, Gisbert

Angewandte Chemie International Edition, 26 June 2017, Vol.56(27), pp.7971-7974 [Peer Reviewed Journal]

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A Computational Method for Unveiling the Target Promiscuity of Pharmacologically Active Compounds

Schneider, Petra ; Schneider, Gisbert

Angewandte Chemie International Edition, 11 September 2017, Vol.56(38), pp.11520-11524 [Peer Reviewed Journal]

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Privileged Structures Revisited

Schneider, Petra ; Schneider, Gisbert

Angewandte Chemie. International Edition, 26 June 2017 [Peer Reviewed Journal]

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Deorphaning the Macromolecular Targets of the Natural Anticancer Compound Doliculide

Schneider, Gisbert ; Reker, Daniel ; Chen, Tao ; Hauenstein, Kurt ; Schneider, Petra ; Altmann, Karl‐Heinz

Angewandte Chemie International Edition, 26 September 2016, Vol.55(40), pp.12408-12411 [Peer Reviewed Journal]

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Combining On-Chip Synthesis of a Focused Combinatorial Library with Computational Target Prediction Reveals Imidazopyridine GPCR Ligands

Reutlinger, Michael ; Rodrigues, Tiago ; Schneider, Petra ; Schneider, Gisbert Reutlinger, Michael (correspondence author)

Angewandte Chemie (International Edition), Jan 2014, Vol.53(2), pp.582-585 [Peer Reviewed Journal]

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