| Mol2vec: unsupervised machine learning approach with chemical intuition S Jaeger, S Fulle, S Turk Journal of chemical information and modeling 58 (1), 27-35, 2018 | 726 | 2018 |
| KinMap: a web-based tool for interactive navigation through human kinome data S Eid, S Turk, A Volkamer, F Rippmann, S Fulle BMC bioinformatics 18, 1-6, 2017 | 315 | 2017 |
| Molecular recognition of RNA: challenges for modelling interactions and plasticity S Fulle, H Gohlke Journal of Molecular Recognition: An Interdisciplinary Journal 23 (2), 220-231, 2010 | 127 | 2010 |
| Profiling prediction of kinase inhibitors: toward the virtual assay B Merget, S Turk, S Eid, F Rippmann, S Fulle Journal of Medicinal Chemistry 60 (1), 474-485, 2016 | 123 | 2016 |
| Statics of the ribosomal exit tunnel: implications for cotranslational peptide folding, elongation regulation, and antibiotics binding S Fulle, H Gohlke Journal of Molecular Biology 387 (2), 502-517, 2009 | 87 | 2009 |
| A validated antibody panel for the characterization of tau post-translational modifications E Ercan, S Eid, C Weber, A Kowalski, M Bichmann, A Behrendt, F Matthes, ... Molecular neurodegeneration 12, 1-19, 2017 | 85 | 2017 |
| Development of cagrilintide, a long-acting amylin analogue T Kruse, JL Hansen, K Dahl, L Schaffer, U Sensfuss, C Poulsen, ... Journal of medicinal chemistry 64 (15), 11183-11194, 2021 | 73 | 2021 |
| Plasmodium subtilisin-like protease 1 (SUB1): insights into the active-site structure, specificity and function of a pan-malaria drug target C Withers-Martinez, C Suarez, S Fulle, S Kher, M Penzo, JP Ebejer, ... International journal for parasitology 42 (6), 597-612, 2012 | 71 | 2012 |
| Analyzing the flexibility of RNA structures by constraint counting S Fulle, H Gohlke Biophysical journal 94 (11), 4202-4219, 2008 | 61 | 2008 |
| Putative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens N Velikova, S Fulle, AS Manso, M Mechkarska, P Finn, JM Conlon, ... Scientific reports 6 (1), 26085, 2016 | 57 | 2016 |
| The emerging role of cloud computing in molecular modelling JP Ebejer, S Fulle, GM Morris, PW Finn Journal of Molecular Graphics and Modelling 44, 177-187, 2013 | 48 | 2013 |
| The Pocketome of Human Kinases: Prioritizing the ATP binding sites of (yet) untapped protein kinases for drug discovery A Volkamer, S Eid, S Turk, S Jaeger, F Rippmann, S Fulle Journal of Chemical Information and Modeling 55 (3), 538–549, 2015 | 44 | 2015 |
| Kinome‐wide profiling prediction of small molecules FA Sorgenfrei, S Fulle, B Merget ChemMedChem 13 (6), 495-499, 2018 | 43 | 2018 |
| HIV-1 TAR RNA spontaneously undergoes relevant apo-to-holo conformational transitions in molecular dynamics and constrained geometrical simulations S Fulle, NA Christ, E Kestner, H Gohlke Journal of chemical information and modeling 50 (8), 1489-1501, 2010 | 39 | 2010 |
| Substrate derived peptidic α-ketoamides as inhibitors of the malarial protease PfSUB1 SS Kher, M Penzo, S Fulle, PW Finn, MJ Blackman, A Jirgensons Bioorganic & medicinal chemistry letters 24 (18), 4486-4489, 2014 | 34 | 2014 |
| Constraint counting on RNA structures: Linking flexibility and function S Fulle, H Gohlke Methods 49 (2), 181-188, 2009 | 34 | 2009 |
| Molecular Determinants of Binding to the Plasmodium Subtilisin-like Protease 1 S Fulle, C Withers-Martinez, MJ Blackman, GM Morris, PW Finn Journal of chemical information and modeling 53 (3), 573-583, 2013 | 33 | 2013 |
| Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization S Turk, B Merget, F Rippmann, S Fulle Journal of Chemical Information and Modeling, 2017 | 31 | 2017 |
| Identification and visualization of kinase-specific subpockets A Volkamer, S Eid, S Turk, F Rippmann, S Fulle Journal of chemical information and modeling 56 (2), 335-346, 2016 | 24 | 2016 |
| Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low κ2 Values JD Spiegel, S Fulle, M Kleinschmidt, H Gohlke, CM Marian The Journal of Physical Chemistry B 120 (34), 8845-8862, 2016 | 19 | 2016 |
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