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Michael Reutlinger

Showing results (11-20 of 34) with videos related to

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Journal of Medicinal Chemistry|November 7, 2018
Understanding Molecular Drivers of Melanin Binding To Support Rational Design of Small Molecule Ophthalmic DrugsPaulina Jakubiak, Michael Reutlinger, Patrizio Mattei, et al.
Molecular Informatics|August 6, 2016
Designing Multi-target Compound Libraries with Gaussian Process ModelsMichael Bieler, Michael Reutlinger, Tiago Rodrigues, et al.
Chembiochem : a European Journal of Chemical Biology|May 16, 2017
Exploring the Structural Space of the Galectin-1-Ligand InteractionNadja Bertleff-Zieschang, Julian Bechold, Clemens Grimm, et al.
Molecular Informatics|August 20, 2013
Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' MoleculesMichael Reutlinger, Christian P Koch, Daniel Reker, et al.
Plos Computational Biology|January 24, 2014
Machine learning estimates of natural product conformational energiesMatthias Rupp, Matthias R Bauer, Rainer Wilcken, et al.
Angewandte Chemie (International Ed. in English)|December 6, 2014
Multidimensional de novo design reveals 5-HT2B receptor-selective ligandsTiago Rodrigues, Nadine Hauser, Daniel Reker, et al.
Chimia|March 6, 2014
Adaptive peptide designGisbert Schneider, Yen-Chu Lin, Christian P Koch, et al.
Journal of Computer-Aided Molecular Design|September 24, 2022
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenariosAndreas Tosstorff, Markus G Rudolph, Jason C Cole, et al.
Journal of Medicinal Chemistry|July 14, 2025
Machine Learning-Assisted Iterative Screening for Efficient Detection of Drug Discovery Starting PointsAlex T Müller, Markus Hierl, Dominik Heer, et al.
Angewandte Chemie (International Ed. in English)|October 11, 2011
Neighborhood-preserving visualization of adaptive structure-activity landscapes: application to drug discoveryMichael Reutlinger, Wolfgang Guba, Rainer E Martin, et al.
Pageof 4

Showing results (11-20 of 34) with videos related to

Sort By:
Pageof 4
Journal of Medicinal Chemistry|November 7, 2018
Understanding Molecular Drivers of Melanin Binding To Support Rational Design of Small Molecule Ophthalmic DrugsPaulina Jakubiak, Michael Reutlinger, Patrizio Mattei, et al.
Molecular Informatics|August 6, 2016
Designing Multi-target Compound Libraries with Gaussian Process ModelsMichael Bieler, Michael Reutlinger, Tiago Rodrigues, et al.
Chembiochem : a European Journal of Chemical Biology|May 16, 2017
Exploring the Structural Space of the Galectin-1-Ligand InteractionNadja Bertleff-Zieschang, Julian Bechold, Clemens Grimm, et al.
Molecular Informatics|August 20, 2013
Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' MoleculesMichael Reutlinger, Christian P Koch, Daniel Reker, et al.
Plos Computational Biology|January 24, 2014
Machine learning estimates of natural product conformational energiesMatthias Rupp, Matthias R Bauer, Rainer Wilcken, et al.
Angewandte Chemie (International Ed. in English)|December 6, 2014
Multidimensional de novo design reveals 5-HT2B receptor-selective ligandsTiago Rodrigues, Nadine Hauser, Daniel Reker, et al.
Chimia|March 6, 2014
Adaptive peptide designGisbert Schneider, Yen-Chu Lin, Christian P Koch, et al.
Journal of Computer-Aided Molecular Design|September 24, 2022
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenariosAndreas Tosstorff, Markus G Rudolph, Jason C Cole, et al.
Journal of Medicinal Chemistry|July 14, 2025
Machine Learning-Assisted Iterative Screening for Efficient Detection of Drug Discovery Starting PointsAlex T Müller, Markus Hierl, Dominik Heer, et al.
Angewandte Chemie (International Ed. in English)|October 11, 2011
Neighborhood-preserving visualization of adaptive structure-activity landscapes: application to drug discoveryMichael Reutlinger, Wolfgang Guba, Rainer E Martin, et al.
Pageof 4