Moira Rachman

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2

Stefan Gahbauer, G.J. Correy, M. Schuller et al. · Proceedings of the National Academy of Sciences · 2023 · 117 citations · Full text

Drug Target, Protein Assembly, Biomolecular Structure Prediction +17

Ligand recognition and allosteric modulation of the human MRGPRX1 receptor

Yongfeng Liu, Can Cao, Xi‐Ping Huang et al. · Nature Chemical Biology · 2022 · 38 citations

Signal Transduction, G Protein-coupled Receptor, Medicine +7

DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders

Moira Rachman, Andrea Scarpino, Dávid Bajusz et al. · ChemMedChem · 2019 · 23 citations · Full text

Covalent Binders, Drug Target, Biochemistry +12

Discovery of a novel kinase hinge binder fragment by dynamic undocking

Moira Rachman, Dávid Bajusz, Anasztázia Hetényi et al. · RSC Medicinal Chemistry · 2020 · 16 citations · Full text

Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space

Serena G. Piticchio, Miriam Martínez‐Cartró, Salvatore Scaffidi et al. · Journal of Medicinal Chemistry · 2021 · 15 citations · Full text

Combinatorial Chemistry, Hit Identification, Molecular Biology +19