Downloads


On this page you can find useful downloads concerning MD simulations and docking.


dPred.tar.gz

A program to calculate the desolvation penalties of small probes in cavities to identify possible binding sites of small ligands.



GRADSCOPT tool

Benchmark and computer code for the GRADSCOPT tool

Benchmark and computer code for the GRADSCOPT tool to design scoring functions for molecular docking.

Attract benchmark for the GRADSCOPT tool

Five parts of the attract benchmark for the GRADSCOPT tool. Contains decoys from Attract for 164 protein-protein complexes to create scoring potentials with the GRADSCOPT tool kit. All parts are needed!


Multimodal Ising Model for DNA-flexibility

The tar-file includes a python program for the analysis of DNA flexibility using a multimodal Ising model according to Liebl & Zacharias, to be published. It also includes data files and an example application.


ATTRACT

Docking program

Visit ATTRACT ONLINE

The current source code of the docking program attract.

Previous Version

Download of the ATTRACT-Docking Program (Fortran-Version, full source code and manual)