Gisbert Schneider

Papers authored by Gisbert Schneider

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2017 Knut Baumann, Gisbert Schneider

Big Data and Deep Learning: A New Age of Molecular Informatics?

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L. Armbrecht, G. Gabernet, F. Kurth, J. A. Hiss, G. Schneider

, P. S. Dittrich

Characterisation of anticancer peptides at the single-cell level

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Gisbert Schneider

, Kimito Funatsu, Yasushi Okuno, Dave Winkler

De novo Drug Design - Ye olde Scoring Problem Revisited

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P. Schneider, G. Schneider

De-orphaning the marine natural product (±)-marinopyrrole A by computational target prediction and biochemical validation

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2016 Gisbert Schneider

, Petra Schneider

Macromolecular target prediction by self-organizing feature maps

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Jihong Cui

, Maija Hollmén, Lina Li, Yong Chen, Steven T. Proulx

, Daniel Reker

, Gisbert Schneider

, Michael Detmar

New use of an old drug: inhibition of breast cancer stem cells by benztropine mesylate

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Francesca Grisoni, Daniel Reker

, Petra Schneider, Lukas Friedrich, Viviana Consonni, Roberto Todeschini, Andreas Koeberle, Oliver Werz, Gisbert Schneider

Matrix-based Molecular Descriptors for Prospective Virtual Compound Screening

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Alexander L. Button, Jan A. Hiss, Petra Schneider, Gisbert Schneider

Scoring ofde novoDesigned Chemical Entities by Macromolecular Target Prediction

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Gisbert Schneider

, Daniel Reker

, Tao Chen, Kurt Hauenstein, Petra Schneider, Karl-Heinz Altmann

Deorphaning the Macromolecular Targets of the Natural Anticancer Compound Doliculide

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Alex T. Müller, Aral C. Kaymaz, Gisela Gabernet, Gernot Posselt, Silja Wessler, Jan A. Hiss, Gisbert Schneider

Sparse Neural Network Models of Antimicrobial Peptide-Activity Relationships

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Lukas Friedrich, Tiago Rodrigues, Claudia S. Neuhaus, Petra Schneider, Gisbert Schneider

From Complex Natural Products to Simple Synthetic Mimetics by Computational De Novo Design

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Tiago Rodrigues, Daniel Reker

, Petra Schneider, Gisbert Schneider

Counting on natural products for drug design

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Thomas P. Schmidt, Anna M. Perna, Tim Fugmann, Manja Böhm, Jan Hiss, Sarah Haller, Camilla Götz, Nicole Tegtmeyer, Benjamin Hoy, Tilman T. Rau, Dario Neri, Steffen Backert, Gisbert Schneider

, Silja Wessler

Identification of E-cadherin signature motifs functioning as cleavage sites for Helicobacter pylori HtrA

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Petra Schneider, Alex T. Müller, Gisela Gabernet, Alexander L. Button, Gernot Posselt, Silja Wessler, Jan A. Hiss, Gisbert Schneider

Hybrid Network Model for “Deep Learning” of Chemical Data: Application to Antimicrobial Peptides

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Michael Bieler, Michael Reutlinger, Tiago Rodrigues, Petra Schneider, Jan M. Kriegl, Gisbert Schneider

Designing Multi-target Compound Libraries with Gaussian Process Models

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Petra Schneider, Gisbert Schneider

De Novo Design at the Edge of Chaos

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Thomas P. Schmidt, Camilla Goetz, Markus Huemer, Gisbert Schneider

, Silja Wessler

Calcium binding protects E-cadherin from cleavage by Helicobacter pylori HtrA

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D. Reker

, P. Schneider, G. Schneider

Multi-objective active machine learning rapidly improves structure–activity models and reveals new protein–protein interaction inhibitors

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A. R. Finkelmann, A. H. Göller, G. Schneider

Robust molecular representations for modelling and design derived from atomic partial charges

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G. Gabernet, A. T. Müller, J. A. Hiss, G. Schneider

Membranolytic anticancer peptides

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Papers authored by Gisbert Schneider