- APROPOS: (Automatic PROtein POcket Search), by C. Frömmel. Institute Biochemistry, Medical Faculty, Humboldt-University of Berlin.
Based purely on geometric criteria.
- AUTODOCK: (Automated Docking of Ligands to Macromolecules)
Program written by D.S. Goodsell, Arthur J. Olson's Laboratory.
Department of Pharmaceutical Chemistry, School of Pharmacy, University of California.
- CombiBUILD: Fragment-based docking.
Home Page. A structure-based drug design program created to aid the design of combinatorial libraries.
- ESCHER: Evaluation
of Surface Complementarity, Hydrogen-bonding, Electrostatic interaction in
molecular Recognition. Ausiello et al. 1997; Proteins: Struct. Funct. Genet.
University of Wisconsin Molecular Modelling Laboratory.
- FLExX: (Flexible Docking Method Using an Incremental Construction Algorithm, 1996).
FlexX Home Page.
German National Research Center for Information Technology, Institute for Algoritms and Scientific Computing.
- FLOG: A system to select "quasi flexible" ligands complementary to a receptor if known three-dimensional structure. J. Comput. Aided Mol. Des. 8, 153-174 (1994)
- FTDock: (Fourier Transform Docking)
Biomolecular Modelling Laboratory, Imperial Cancer Research Fund. (London)
- GOLD: (Genetic Optimisation for Ligand Docking)
Docking program based on the algorithm described by Jones et al. J.Mol.Biol 254, 43-53 (1995).
- GRAMM: (Global Range Molecular Matching)
Medical University of South Carolina (Charleston)
- HEX: an interactive protein docking and molecular superposition program. The main thing which distinguishes Hex from other macromolecular (i.e. protein and DNA) docking programs and molecular graphics packages is its use of spherical polar Fourier correlations to accelerate docking calculations.
- HotDock: (An Interactive Approach to Molecular Docking)
University of Paderborn.
- PUZZLE: Method for Protein Docking Based on Surface Shape Complementarity (1994).
- STALK: A System for Modeling Protein-Protein Interactions.
Other Docking Links
- LIGAND: Ligand Database. GenomeNet, Institute for Chemical Research, Kyoto University, Japan.
- LIGPLOT v4.0: A Program for Automatically plotting Protein-Ligand Interactions. A. Wallace and R. Laskowski. Home Page.
- NUCPLOT: A program to generate schematic diagrams of protein-nucleic acid interactions, written by N.M. Luscombe and R.A. Laskowski.
- Find-NCB: Noncovalent Bond Finder.
Displays the closest contacts to ligand or interface, reports distances and walks over water bridges.
NVTB - Home Page
Last Updated: 4 September 2000
Ingeborg M.M. van Leeuwen