| Efficient multi-objective molecular optimization in a continuous latent space R Winter, F Montanari, A Steffen, H Briem, F Noé, DA Clevert Chemical science 10 (34), 8016-8024, 2019 | 256 | 2019 |
| Non-canonical hedgehog signaling is a positive regulator of the WNT pathway and is required for the survival of colon cancer stem cells JL Regan, D Schumacher, S Staudte, A Steffen, J Haybaeck, U Keilholz, ... Cell reports 21 (10), 2813-2828, 2017 | 131 | 2017 |
| improved cyclodextrin‐based receptors for camptothecin by inverse virtual screening A Steffen, C Thiele, S Tietze, C Strassnig, A Kämper, T Lengauer, G Wenz, ... Chemistry–A European Journal 13 (24), 6801-6809, 2007 | 83 | 2007 |
| Comparison of molecular fingerprint methods on the basis of biological profile data A Steffen, T Kogej, C Tyrchan, O Engkvist Journal of chemical information and modeling 49 (2), 338-347, 2009 | 71 | 2009 |
| AIScore Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes S Raub, A Steffen, A Kämper, CM Marian Journal of chemical information and modeling 48 (7), 1492-1510, 2008 | 53 | 2008 |
| Free enthalpies of replacing water molecules in protein binding pockets S Riniker, LJ Barandun, F Diederich, O Krämer, A Steffen, ... Journal of computer-aided molecular design 26, 1293-1309, 2012 | 31 | 2012 |
| A medicinal chemistry perspective on melting point: matched molecular pair analysis of the effects of simple descriptors on the melting point of drug-like compounds S Schultes, C de Graaf, H Berger, M Mayer, A Steffen, EEJ Haaksma, ... MedChemComm 3 (5), 584-591, 2012 | 28 | 2012 |
| Flexible docking of ligands into synthetic receptors using a two-sided incremental construction algorithm A Steffen, A Kämper, T Lengauer Journal of chemical information and modeling 46 (4), 1695-1703, 2006 | 15 | 2006 |
| On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes A Steffen, J Apostolakis Chemistry Central Journal 1, 1-11, 2007 | 12 | 2007 |
| Identification of a neural development gene expression signature in colon cancer stem cells reveals a role for EGR2 in tumorigenesis JL Regan, D Schumacher, S Staudte, A Steffen, R Lesche, J Toedling, ... Iscience 25 (7), 2022 | 11 | 2022 |
| grünifai: interactive multiparameter optimization of molecules in a continuous vector space R Winter, J Retel, F Noé, DA Clevert, A Steffen Bioinformatics 36 (13), 4093-4094, 2020 | 11 | 2020 |
| Triazolopyridazine H Engelhardt, D Gianni, D Kessler, U Reiser, C Smethurst, A Steffen US Patent 9,422,290, 2016 | 10 | 2016 |
| Combined similarity and QSPR virtual screening for guest molecules of β-cyclodextrin A Steffen, M Karasz, C Thiele, T Lengauer, A Kämper, G Wenz, ... New Journal of Chemistry 31 (11), 1941-1949, 2007 | 10 | 2007 |
| RNA sequencing of long-term label-retaining colon cancer stem cells identifies novel regulators of quiescence JL Regan, D Schumacher, S Staudte, A Steffen, R Lesche, J Toedling, ... Iscience 24 (6), 2021 | 8 | 2021 |
| 6-alkynylpyridines U Reiser, G Bader, W Spevak, A Steffen, AL Parkes US Patent 8,859,541, 2014 | 6 | 2014 |
| Non-canonical hedgehog signaling is a positive regulator of the WNT pathway and is required for the survival of colon cancer stem cells. Cell Rep 21: 2813–2828 JL Regan, D Schumacher, S Staudte, A Steffen, J Haybaeck, U Keilholz, ... | 5 | 2017 |
| Evaluation of the applicability of the FlexE ensemble docking approach to virtual screening for CDK2 inhibitors. 18 A Steffen, J Günther, H Briem Darmstädter Molecular Modelling Workshop, 2004 | 2 | 2004 |
| A fast machine learning dataloader for epigenetic tracks from BigWig files JS Retel, A Poehlmann, J Chiou, A Steffen, DA Clevert Bioinformatics 40 (1), btad767, 2024 | 1 | 2024 |
| 6-alkynyl pyridines as smac mimetics U Reiser, G Bader, W Spevak, A Steffen, AL Parkes | 1 | 2017 |
| Computational approaches in supramolecular chemistry with a special focus on virtual screening A Steffen | 1 | 2007 |
Gerhard WenzProfessor Organic Macromolecular Chemistry在 mx.uni-saarland.de 的电子邮件经过验证
