drug and drug target discovery

Determine the coordination geometry of metals in biological macromolecules

Metals are essential for the structure and function of many proteins and nucleic acids. The geometric arrangement of the atoms that coordinate a metal in a biological macromolecule is an important determinant of the specificity and role of that metal. FindGeo quickly finds and determines the coordination geometry of selected, or all, metals in a given structure.

Investigate functional relationships between metal-binding macromolecules

MetalS2 facilitates the investigation of the functional relationships between metal-dependent enzymes and metal-binding macromolecules in general.

Structural analysis of metal sites in biological macromolecules

MetalPDB supports the structural analysis of metal sites in biological macromolecules and reveals structurally similar or equivalent sites occurring in other macromolecules based on structural information contained in the Protein Data Bank (PDB).

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drug and drug target discovery