ATLIGATOR

Web interface of the ATLas based LIGAnd binding ediTOR

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Structures

Image of a protein structure complex containing a protein and a peptide ligand in cartoon representation.

Collections of PDB structures providing the input for the generation of atlases and the discovery of pockets.

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Atlases

Image of an Atlas visualized with Ca and Cbeta coordinates of ligand and binder residues

Discover pair-wise interaction patterns between amino acid residues, forming the basis for pocket discovery and binder design.

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Pockets

Image of a pocket visualized with all atoms

Discover, inspect, and annotate binding pockets automatically discovered by an atlas based itemset analysis.

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Scaffolds

Image of a protein structure binding a peptide ligand.

Define scaffold PDB structures for the pocket-based or manual design of novel binders for given ligands.

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Designs

Image of a protein-peptide complex with detailed interactions sites highlighted.

Utilize the knowledge of atlases and pockets for the design of novel binders.

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