Computational Visualization Center

A cross-disciplinary effort to develop and improve the technologies for computational modeling, simulation, analysis, and visualization.

F2Dock

_F2Dock, a rigid-body protein-protein docking software, have been implemented in a client-server framework. The client is a part of the _TexMol_ package. For a description of the algorithm, brief overview of the performance and a list of corresponding publications, refer to the Protein-protein docking project page._

Features

  • Supported operations
    • Protein-protein docking
    • Reranking docking results
    • Protonation and partial charge assignment using PDB2PQR
    • Molecular surface generation using Molsulf
    • Separation (or addition) of skin atoms of proteins
    • Integration point sampling on the surface for energetics computaions

References

C. Bajaj, R. Chowdhury, and V. Siddavanahalli
F2Dock: Fast Fourier Protein-Protein Docking
IEEE/ACM Transactions on Computational Biology and Bioinformatics, 8(1):45-58, 2011.
(pdf)

Download F2Dock Server

  • Please visit for instructions on installing and using the F2DockClient through TexMol

Software Usage

  • Here is the user guide for F2DockClient. More detailed is available in this longer tutorial. For installation notes, refer to TexMol's user guide.