| 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 | 169 | 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 | 23 | 2019 |
| Structural insights into understudied human cytochrome P450 enzymes D Machalz, S Pach, M Bermudez, M Bureik, G Wolber Drug discovery today 26 (10), 2456-2464, 2021 | 22 | 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 | 14 | 2020 |
| ACE2-variants indicate potential SARS-CoV-2-susceptibility in animals: an extensive molecular dynamics study S Pach, TN Nguyen, J Trimpert, D Kunec, N Osterrieder, G Wolber bioRxiv, 2020.05. 14.092767, 2020 | 12 | 2020 |
| Chemical Evolution of Antivirals Against Enterovirus D68 through Protein‐Templated Knoevenagel Reactions C Tauber, R Wamser, C Arkona, M Tügend, UB Abdul Aziz, S Pach, ... Angewandte Chemie International Edition 60 (24), 13294-13301, 2021 | 10 | 2021 |
| A benzoxazole derivative as an inhibitor of anaerobic choline metabolism by human gut microbiota MT Gabr, D Machalz, S Pach, G Wolber RSC Medicinal Chemistry 11 (12), 1402-1412, 2020 | 8 | 2020 |
| In vitro, in vivo and in silico characterization of a novel kappa-opioid receptor antagonist K Puls, AL Olivé-Marti, S Pach, B Pinter, F Erli, G Wolber, M Spetea Pharmaceuticals 15 (6), 680, 2022 | 6 | 2022 |
| ACE2‐Variants Indicate Potential SARS‐CoV‐2‐Susceptibility in Animals: A Molecular Dynamics Study S Pach, TN Nguyen, J Trimpert, D Kunec, N Osterrieder, G Wolber Molecular Informatics 40 (9), 2100031, 2021 | 6 | 2021 |
| Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening SA Abdel-Rahman, V Talagayev, S Pach, G Wolber, MT Gabr Journal of Medicinal Chemistry 66 (16), 11464-11475, 2023 | 3 | 2023 |
| A Critical Study on Acylating and Covalent Reversible Fragment Inhibitors of SARS‐CoV‐2 Main Protease Targeting the S1 Site with Pyridine R Wamser, S Pach, C Arkona, M Baumgardt, UBA Aziz, AC Hocke, ... ChemMedChem 18 (9), e202200635, 2023 | 2 | 2023 |
| Discovery of ICOS‐Targeted Small Molecules Using Pharmacophore‐Based Screening L Calvo‐Barreiro, V Talagayev, S Pach, SA Abdel‐Rahman, G Wolber, ... ChemMedChem 18 (23), e202300305, 2023 | 1 | 2023 |
| 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 |
| Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I V Kremling, B Loll, S Pach, I Dahmani, C Weise, G Wolber, S Chiantia, ... Frontiers in microbiology 14, 1197120, 2023 | | 2023 |
| Mechanistic Elucidation of Protease–Substrate and Protein–Protein Interactions for Targeting Viral Infections S Pach | | 2022 |
| Chemische Evolution antiviraler Wirkstoffe gegen Enterovirus D68 durch Proteintemplat‐gesteuerte Knoevenagelreaktionen C Tauber, R Wamser, C Arkona, M Tügend, UB Abdul Aziz, S Pach, ... Angewandte Chemie 133 (24), 13405-13413, 2021 | | 2021 |
| ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: An Extensive Molecular Dynamics Study (preprint) S Pach, TN Nguyen, J Trimpert, D Kunec, N Osterrieder, G Wolber | | 2020 |
Gerhard WolberProfessor for Pharmaceutical ChemistryVerified email at fu-berlin.de
