Simplified redesign of proteins can improve ligand binding
These modules allow the ProteinReDiff framework to capture intricate protein–ligand interactions, improve the fidelity of ...
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Proteomics method identifies ligand-binding proteins and binding sites in complex systems
Knowledge of the ligand-binding regions is also extremely valuable for structure-based drug design and biological hypothesis generation. Traditional methods for determining binding sites and ...
Science Daily26d
Controlling conformational changes in protein aromatic side chains
A novel protein cage system can control and visualize orientational changes in aromatic side chains upon ligand binding. By inducing coordinated molecular changes, this approach enables precise ...
Phys.org1mon
Protein cage system can control conformational changes in aromatic side chains
Get Instant Summarized Text (Gist) A novel protein cage system enables control and visualization of aromatic side chain orientation changes upon ligand binding, enhancing fluorescence properties ...
Helsinki1y
Ligand Design and Discovery
Our methodologies include: Docking-Based Virtual Screens and Rescoring/Hit Analysis: Employing molecular docking simulations, we perform large-scale virtual screens to predict ligand binding poses and ...