ZDOCK/RDOCK

• two protein docking algorithms designed to operate in succession. ZDOCK is a rigid-body docking program, and RDOCK is a refinement program. ZDOCK uses a fast Fourier transform to search all possible binding modes for proteins, evaluating based on shape complementarity, desolvation energy, and electrostatics. The top 2000 predictions from ZDOCK are then given to RDOCK where they are minimized by CHARMM to improve the energies and eliminate clashes, and then the electrostatic and desolvation energies are recomputed. From the Zhiping Lab at Boston University. by RDOCK.

Developers

ZDOCK Developer Group

Categories

Computational Chemistry

Versions

• Linux 32: 3.0.1
• OSX Intel: 3.0.1

Citations

Chen et al. Docking Unbound Proteins Using Shape Complementarity, Desolvation, and Electrostatics. Proteins. 2002. 47: 281-294.

License Type

This software is distributed under a Non-Profit license.