| A compact review of molecular property prediction with graph neural networks O Wieder, S Kohlbacher, M Kuenemann, A Garon, P Ducrot, T Seidel, ... Drug Discovery Today: Technologies 37, 1-12, 2020 | 387 | 2020 |
| Molecule-pharmacophore superpositioning and pattern matching in computational drug design G Wolber, T Seidel, F Bendix, T Langer Drug discovery today 13 (1-2), 23-29, 2008 | 374 | 2008 |
| Structure and reaction based evaluation of synthetic accessibility K Boda, T Seidel, J Gasteiger Journal of computer-aided molecular design 21, 311-325, 2007 | 205 | 2007 |
| Strategies for 3D pharmacophore-based virtual screening T Seidel, G Ibis, F Bendix, G Wolber Drug Discovery Today: Technologies 7 (4), e221-e228, 2010 | 152 | 2010 |
| The pharmacophore concept and its applications in computer-aided drug design T Seidel, DA Schuetz, A Garon, T Langer Progress in the Chemistry of Organic Natural Products 110: Cheminformatics …, 2019 | 73 | 2019 |
| Common hits approach: combining pharmacophore modeling and molecular dynamics simulations M Wieder, A Garon, U Perricone, S Boresch, T Seidel, AM Almerico, ... Journal of chemical information and modeling 57 (2), 365-385, 2017 | 72 | 2017 |
| Applications of the pharmacophore concept in natural product inspired drug design T Seidel, O Wieder, A Garon, T Langer Molecular Informatics 39 (11), 2000059, 2020 | 65 | 2020 |
| Conformational sampling of small molecules with iCon: performance assessment in comparison with OMEGA G Poli, T Seidel, T Langer Frontiers in chemistry 6, 229, 2018 | 54 | 2018 |
| Second-generation de novo design: a view from a medicinal chemist perspective A Zaliani, K Boda, T Seidel, A Herwig, CH Schwab, J Gasteiger, ... Journal of computer-aided molecular design 23, 593-602, 2009 | 46 | 2009 |
| Discovery of potent inhibitors for the large neutral amino acid transporter 1 (LAT1) by structure-based methods N Singh, M Scalise, M Galluccio, M Wieder, T Seidel, T Langer, C Indiveri, ... International journal of molecular sciences 20 (1), 27, 2018 | 42 | 2018 |
| 3D Pharmacophore Modeling Techniques in Computer‐Aided Molecular Design Using LigandScout T Seidel, SD Bryant, G Ibis, G Poli, T Langer Tutorials in chemoinformatics, 279-309, 2017 | 40 | 2017 |
| Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site‐directed mutagenesis D Luger, G Poli, M Wieder, M Stadler, S Ke, M Ernst, A Hohaus, T Linder, ... British Journal of Pharmacology 172 (22), 5403-5413, 2015 | 37 | 2015 |
| Evaluating the stability of pharmacophore features using molecular dynamics simulations M Wieder, U Perricone, S Boresch, T Seidel, T Langer Biochemical and biophysical research communications 470 (3), 685-689, 2016 | 34 | 2016 |
| A Molecular Dynamics–Shared Pharmacophore Approach to Boost Early‐Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator‐Activated Receptor α U Perricone, M Wieder, T Seidel, T Langer, A Padova, AM Almerico, ... ChemMedChem 12 (16), 1399-1407, 2017 | 32 | 2017 |
| A computational approach to identify potential novel inhibitors against the coronavirus SARS‐CoV‐2 V Battisti, O Wieder, A Garon, T Seidel, E Urban, T Langer Molecular informatics 39 (10), 2000090, 2020 | 26 | 2020 |
| Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations M Wieder, U Perricone, T Seidel, S Boresch, T Langer Monatshefte für Chemie-Chemical Monthly 147, 553-563, 2016 | 25 | 2016 |
| Improved lipophilicity and aqueous solubility prediction with composite graph neural networks O Wieder, M Kuenemann, M Wieder, T Seidel, C Meyer, SD Bryant, ... Molecules 26 (20), 6185, 2021 | 23 | 2021 |
| GRAIL: Grids of pharmacophore interaction fields DA Schuetz, T Seidel, A Garon, R Martini, M Körbel, GF Ecker, T Langer Journal of Chemical Theory and Computation 14 (9), 4958-4970, 2018 | 22 | 2018 |
| A Combination of pharmacophore and docking‐based virtual screening to discover new tyrosinase inhibitors S Vittorio, T Seidel, MP Germanò, R Gitto, L Ielo, A Garon, A Rapisarda, ... Molecular Informatics 39 (3), 1900054, 2020 | 19 | 2020 |
| QPHAR: Quantitative pharmacophore activity relationship: Method and validation SM Kohlbacher, T Langer, T Seidel Journal of cheminformatics 13, 1-14, 2021 | 17 | 2021 |
