Structure-and similarity-based survey of allosteric kinase inhibitors, activators, and closely related compounds O Laufkötter, H Hu, F Miljkovic, J Bajorath Journal of Medicinal Chemistry 65 (2), 922-934, 2021 | 35 | 2021 |
Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability O Laufkötter, N Sturm, J Bajorath, H Chen, O Engkvist Journal of cheminformatics 11, 1-14, 2019 | 35 | 2019 |
Large-Scale Comparison of Alternative Similarity Search Strategies with Varying Chemical Information Contents O Laufkötter, T Miyao, J Bajorath ACS omega 4 (12), 15304-15311, 2019 | 8 | 2019 |
Systematic comparison of competitive and allosteric kinase inhibitors reveals common structural characteristics H Hu, O Laufkötter, F Miljković, J Bajorath European Journal of Medicinal Chemistry 214, 113206, 2021 | 7 | 2021 |
Identifying representative kinases for inhibitor evaluation via systematic analysis of compound-based target relationships O Laufkoetter, S Laufer, J Bajorath European Journal of Medicinal Chemistry 204, 112641, 2020 | 6 | 2020 |
Kinase inhibitor data set for systematic analysis of representative kinases across the human kinome O Laufkötter, S Laufer, J Bajorath Data in Brief 32, 106189, 2020 | 6 | 2020 |
Systematic Analysis of Covalent and Allosteric Protein Kinase Inhibitors E Xerxa, O Laufkötter, J Bajorath Molecules 28 (15), 5805, 2023 | 4 | 2023 |
Data set of competitive and allosteric protein kinase inhibitors confirmed by X-ray crystallography H Hu, O Laufkötter, F Miljković, J Bajorath Data in Brief 35, 106816, 2021 | 4 | 2021 |