| Next generation 3D pharmacophore modeling D Schaller, D Šribar, T Noonan, L Deng, TN Nguyen, S Pach, D Machalz, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1468, 2020 | 217 | 2020 |
| MEN1 mutations mediate clinical resistance to menin inhibition F Perner, EM Stein, DV Wenge, S Singh, J Kim, A Apazidis, ... Nature 615 (7954), 913-919, 2023 | 101 | 2023 |
| Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors ML Boby, D Fearon, M Ferla, M Filep, L Koekemoer, MC Robinson, ... Science 382 (6671), eabo7201, 2023 | 66 | 2023 |
| Binding mechanism investigations guiding the synthesis of novel condensed 1, 4-dihydropyridine derivatives with L-/T-type calcium channel blocking activity D Schaller, MG Gündüz, FX Zhang, GW Zamponi, G Wolber European journal of medicinal chemistry 155, 1-12, 2018 | 50 | 2018 |
| Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors COVID Moonshot Consortium, H Achdout, A Aimon, DS Alonzi, R Arbon, ... BioRxiv, 2020.10. 29.339317, 2020 | 40 | 2020 |
| PyRod: Tracing water molecules in molecular dynamics simulations D Schaller, S Pach, G Wolber Journal of chemical information and modeling 59 (6), 2818-2829, 2019 | 27 | 2019 |
| From pyrazolones to azaindoles: evolution of active-site SHP2 inhibitors based on scaffold hopping and bioisosteric replacement Y Mostinski, GJJE Heynen, MP López-Alberca, J Paul, S Miksche, ... Journal of medicinal chemistry 63 (23), 14780-14804, 2020 | 20 | 2020 |
| Discovery of Michael acceptor containing 1, 4-dihydropyridines as first covalent inhibitors of L-/T-type calcium channels HA Cevher, D Schaller, MA Gandini, O Kaplan, E Gambeta, FX Zhang, ... Bioorganic Chemistry 91, 103187, 2019 | 20 | 2019 |
| Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands D Schaller, S Hagenow, H Stark, G Wolber PLoS One 14 (6), e0218820, 2019 | 17 | 2019 |
| TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research D Sydow, J Rodríguez-Guerra, TB Kimber, D Schaller, CJ Taylor, Y Chen, ... Nucleic Acids Research 50 (W1), W753-W760, 2022 | 13 | 2022 |
| New 3-aryl-2-(2-thienyl) acrylonitriles with high activity against hepatoma cells E Schaller, A Ma, LC Gosch, A Klefenz, D Schaller, N Goehringer, L Kaps, ... International Journal of Molecular Sciences 22 (5), 2243, 2021 | 13 | 2021 |
| Catching a moving target: comparative modeling of flaviviral NS2B-NS3 reveals small molecule Zika protease inhibitors S Pach, TM Sarter, R Yousef, D Schaller, S Bergemann, C Arkona, ... ACS Medicinal Chemistry Letters 11 (4), 514-520, 2020 | 13 | 2020 |
| Garcinol from Garcinia indica inhibits HIV‐1 reverse transcriptase‐associated ribonuclease H A Corona, S Seibt, D Schaller, R Schobert, A Volkamer, B Biersack, ... Archiv der Pharmazie 354 (9), 2100123, 2021 | 10 | 2021 |
| Systematic data mining reveals synergistic H3R/MCHR1 ligands D Schaller, S Hagenow, G Alpert, A Naß, R Schulz, M Bermudez, H Stark, ... ACS medicinal chemistry letters 8 (6), 648-653, 2017 | 10 | 2017 |
| BiasDB: A comprehensive database for biased GPCR ligands C Omieczynski, TN Nguyen, D Sribar, L Deng, D Stepanov, D Schaller, ... BioRxiv, 742643, 2019 | 7 | 2019 |
| PyRod Enables Rational Homology Model‐based Virtual Screening Against MCHR1 D Schaller, G Wolber Molecular Informatics 39 (6), 2000020, 2020 | 3 | 2020 |
| Benchmarking Cross-Docking Strategies for Structure-Informed Machine Learning in Kinase Drug Discovery D Schaller, CD Christ, JD Chodera, A Volkamer bioRxiv, 2023 | 2 | 2023 |
| Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding S Singh, V Gapsys, M Aldeghi, D Schaller, AM Rangwala, JB White, ... bioRxiv, 2024.11. 15.623861, 2024 | 1 | 2024 |
| Exploiting Water Dynamics for Pharmacophore Screening D Schaller, S Pach, M Bermudez, G Wolber Protein-Ligand Interactions and Drug Design, 227-238, 2021 | 1 | 2021 |
| Assessment of flexible shape complementarity: New opportunities to explain and induce selectivity in ligands of protein tyrosine phosphatase 1B A Naß, D Schaller, G Wolber Molecular Informatics 38 (5), 1800141, 2019 | 1 | 2019 |
Gerhard WolberProfessor for Pharmaceutical ChemistryBestätigte E-Mail-Adresse bei fu-berlin.de
