Characterization of the chemical space of known and readily obtainable natural products Y Chen, M Garcia de Lomana, NO Friedrich, J Kirchmair Journal of chemical information and modeling 58 (8), 1518-1532, 2018 | 119 | 2018 |
Benchmarking commercial conformer ensemble generators NO Friedrich, C de Bruyn Kops, F Flachsenberg, K Sommer, M Rarey, ... Journal of Chemical Information and Modeling 57 (11), 2719-2728, 2017 | 115 | 2017 |
High-quality dataset of protein-bound ligand conformations and its application to benchmarking conformer ensemble generators NO Friedrich, A Meyder, C de Bruyn Kops, K Sommer, F Flachsenberg, ... Journal of Chemical Information and Modeling 57 (3), 529-539, 2017 | 86 | 2017 |
Conformator: a novel method for the generation of conformer ensembles NO Friedrich, F Flachsenberg, A Meyder, K Sommer, J Kirchmair, M Rarey Journal of chemical information and modeling 59 (2), 731-742, 2019 | 66 | 2019 |
Hit Dexter: A Machine‐Learning Model for the Prediction of Frequent Hitters C Stork, J Wagner, NO Friedrich, C de Bruyn Kops, M Šícho, J Kirchmair ChemMedChem 13 (6), 564-571, 2018 | 50 | 2018 |
UNICON: a powerful and easy-to-use compound library converter K Sommer, NO Friedrich, S Bietz, M Hilbig, T Inhester, M Rarey Journal of chemical information and modeling 56 (6), 1105-1111, 2016 | 30 | 2016 |
Alignment-based prediction of sites of metabolism C de Bruyn Kops, NO Friedrich, J Kirchmair Journal of Chemical Information and Modeling 57 (6), 1258-1264, 2017 | 12 | 2017 |
How Diverse Are the Protein-Bound Conformations of Small-Molecule Drugs and Cofactors? NO Friedrich, M Simsir, J Kirchmair Frontiers in chemistry 6, 68, 2018 | 10 | 2018 |
StructureProfiler: an all-in-one tool for 3D protein structure profiling A Meyder, S Kampen, J Sieg, R Fährrolfes, NO Friedrich, F Flachsenberg, ... Bioinformatics 35 (5), 874-876, 2019 | 6 | 2019 |
Development and Validation of Algorithms for the Generation of Conformer Ensembles Representing Protein-Bound Ligand Conformations NO Friedrich Staats-und Universitätsbibliothek Hamburg Carl von Ossietzky, 2020 | | 2020 |
Characterization of the chemical space of purchasable natural products Y Chen, CB Kops, MG de Lomana, NO Friedrich, J Kirchmair ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
Analyse und Entwicklung von Strategien zur Konformations-Ensemble-Generierung NO Friedrich | | 2015 |