ADFRsuite

Description

ADFRsuite website  

ADFRsuite contains everything you need to set up a docking experiment for ligands and peptides.

ADFR v1.2 and associate scripts

AGFR v1.2

AutoSite v1.0 and v1.1

ADCP v1.0: AutoDock CrankPep or ADCP is an AutoDock docking engine specialized for docking peptides.

AutoGrid4.2

prepare_ligand

prepare_receptor

Environment Modules

Run module spider ADFRsuite to find out what environment modules are available for this application.

System Variables

• HPC_ADFRSUITE_DIR - installation directory
• HPC_ADFRSUITE_BIN - executable directory

Citation

If you publish research that uses ADFRsuite you have to cite it as follows:

Zhang, Y.; Sanner, M. F. Docking flexible cyclic peptides with AutoDock CrankPep, JCTC, submitted.

Zhang, Y.; Sanner, M. F. AutoDock CrankPep: Combining Folding and Docking to Predict Protein-Peptide Complexes. Bioinformatics 2019.