ADCP gallery

Images made with AutoDock CrankPep (ADCP). Click an image to enlarge it.

Cyan docked helical peptide overlaid on magenta crystal peptide in a receptor groove

A helical peptide docked by ADCP (cyan) closely overlays the crystal structure (magenta) on the receptor surface. Source: ADCP preprint (Zhang & Sanner, 2019), Fig. 4.

Docked and crystal peptide backbones curled in a polarity-colored receptor pocket

ADCP’s top-ranked pose for a 16-residue peptide (cyan) compared with the experimental structure (magenta) in its receptor pocket. Source: ADCP preprint (Zhang & Sanner, 2019), Fig. 4.

Peptide backbone sticks with rotation axes drawn through C-alpha atoms

CRANKITE Monte Carlo moves used by ADCP: a crankshaft rotation about two C-alpha atoms and a rotation near the chain end. Source: ADCP preprint (Zhang & Sanner, 2019), Fig. 1.

Receptor molecular surface inside a docking box with orange grid points and green peptide fragments

The AutoGridFR docking box defines where ADCP can place the peptide; orange points mark promising positions for the peptide root atom. Source: ADCP preprint (Zhang & Sanner, 2019), Fig. S1.

Two peptide stick models with arrows linking non-standard residues 2AS and 0AF to ASP and ALA

Non-standard residues (2AS, 0AF) in a peptide shown next to the standard residues (Asp, Ala) they correspond to, illustrating ADCP 1.1 support for non-canonical amino acids. Source: ADCP 1.1 website.

Rainbow-colored cyclic peptide sticks lying on a white receptor surface, partly hidden behind it

The cyclic peptide of PDB 3AV9 on the molecular surface of its receptor, colored from blue to red along the chain; a second view of the example shown on the ADCP overview page. Source: ADCP 1.1 website.
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