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Št. zadetkov: 2
Effect of water networks on ligand binding
Tibor Viktor Szalai, Dávid Bajusz, Rita Börzsei, Balázs Zoltán Zsidó, Janez Ilaš, György G. Ferenczy, Csaba Hetényi, György Keserü M.
Izvirni znanstveni članek
Oznake: ligandi;molekularna struktura;molekule;peptidi in proteini;presejalni testi;ligands;molecular structure;molecules;peptides and proteins;screening assays;
Rational drug design focuses on the explanation and prediction of complex formation between therapeutic targets and small-molecule ligands. As a third and often overlooked interacting partner, water molecules play a critical role in the thermodynamics of protein–ligand binding, impacting both the en ...
Leto: 2024 Vir: Fakulteta za farmacijo (UL FFA)
Mapping functionally relevant tractable lysines of challenging protein targets by covalent fragment screening
Noémi Csorba, Péter Ábrányi-Balogh, Zoltán Orgován, Tibor Viktor Szalai, György G. Ferenczy, Levente Kollár, Nikolett Péczka, Tímea Imre, József Simon, Martina Hrast, Stanislav Gobec
Izvirni znanstveni članek
Oznake: allosteric sites;covalent fragment;electrophilic warhead;lysine labelling;protein–protein interaction;
Covalent fragment screening has become an established strategy for identifying targetable amino acid residues or viable chemical starting points against challenging protein targets. In recent years, lysine has received growing interest as a nucleophilic residue suitable for covalent labelling. Herei ...
Leto: 2026 Vir: Fakulteta za farmacijo (UL FFA)
Št. zadetkov: 2
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