On this page you can find useful downloads concerning MD simulations and docking.
Match_Motif approach for Protein-Protein interface design
A tar-file that contains the Match_Motif program, two data-files of interface motifs and example applications of the approach.
DNA-force field files for the Tumuc1 force field
A tar-file that contains all Tumuc1 force field files to setup MD-simulations on DNA with the Amber-MD-package.
A program to calculate the desolvation penalties of small probes in cavities to identify possible binding sites of small ligands.
Manual for GRADSCOPT tool
Manual for the GRADSCOPT tool to design scoring functions for molecular docking.
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.
The current source code of the docking program attract.
Download of the ATTRACT-Docking Program (Fortran-Version, full source code and manual)