High-quality RDKit 2D rendering + an interactive 3Dmol.js WebGL viewer, linked to the database via the left-dock Molecule browser and the right-dock Properties pane (MW, logP, TPSA, HBD/HBA, Lipinski ...
The interaction between p53 and MDM2 represents a key therapeutic target in several cancers where MDM2 overexpression suppresses p53 activity. Despite extensive research, the discovery of potent and ...
Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. Many biochemical processes depend on the association of ...
Interaction fingerprints are vector representations that summarize the three-dimensional nature of interactions in molecular complexes, typically formed between a protein and a ligand. This kind of ...
Protein-ligand interaction analysis is important for drug discovery and rational protein design. The existing online tools adopt only a single conformation of the complex structure for calculating and ...
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