PLIP: fully automated protein–ligand interaction profiler S Salentin, S Schreiber, VJ Haupt, MF Adasme, M Schroeder Nucleic acids research 43 (W1), W443-W447, 2015 | 1915 | 2015 |
PLIP 2021: Expanding the scope of the protein–ligand interaction profiler to DNA and RNA MF Adasme, KL Linnemann, SN Bolz, F Kaiser, S Salentin, VJ Haupt, ... Nucleic acids research 49 (W1), W530-W534, 2021 | 1140 | 2021 |
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods B Zdrazil, E Felix, F Hunter, EJ Manners, J Blackshaw, S Corbett, ... Nucleic acids research 52 (D1), D1180-D1192, 2024 | 247 | 2024 |
Drug repositioning or target repositioning: A structural perspective of drug-target-indication relationship for available repurposed drugs D Parisi, MF Adasme, A Sveshnikova, SN Bolz, Y Moreau, M Schroeder Computational and Structural Biotechnology Journal 18, 1043-1055, 2020 | 75 | 2020 |
From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns S Salentin, MF Adasme, JC Heinrich, VJ Haupt, S Daminelli, Y Zhang, ... Scientific reports 7 (1), 11401, 2017 | 56 | 2017 |
Structure-based drug repositioning: potential and limits MF Adasme, D Parisi, A Sveshnikova, M Schroeder Seminars in cancer biology 68, 192-198, 2021 | 41 | 2021 |
Toward an understanding of pan-assay interference compounds and promiscuity: a structural perspective on binding modes SN Bolz, MF Adasme, M Schroeder Journal of Chemical Information and Modeling 61 (5), 2248-2262, 2021 | 36 | 2021 |
Repositioned drugs for chagas disease unveiled via structure-based drug repositioning MF Adasme, SN Bolz, L Adelmann, S Salentin, VJ Haupt, ... International Journal of Molecular Sciences 21 (22), 8809, 2020 | 32 | 2020 |
Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor MF Adasme, D Parisi, K Van Belle, S Salentin, VJ Haupt, GS Jennings, ... PLoS One 15 (5), e0233089, 2020 | 28 | 2020 |
Controlling distinct signaling states in cultured cancer cells provides a new platform for drug discovery SW Poser, O Otto, C Arps-Forker, Y Ge, M Herbig, C Andree, ... The FASEB Journal, 2019 | 9 | 2019 |
Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening MF Adasme, SN Bolz, A Al-Fatlawi, M Schroeder Journal of Cheminformatics 14 (1), 17, 2022 | 3 | 2022 |
Structure based drug repositioning by exploiting structural properties of drug's binding mode MF Adasme | | 2021 |
6 th Advanced in silico Drug Design KFC/ADD Welcome K Berka, P Polishchuk, T Langer, J Kirchmair, MF Adasme, J Blackshaw, ... | | |