Web servers | Description | URL | Refs. |
---|---|---|---|
Ligand-based drug design | |||
 BioTriangle | Compute descriptors for compounds, protein, DNA and their interaction cross-terms |  [285] | |
 ChemDes | Computes 3679 molecular descriptors and 59 fingerprint types for compounds |  [286] | |
 ChemBench | Enables QSAR model building via pre-defined workflow |  [287] | |
 OCHEM | Online platform providing storage for QSAR data and workflow for model building |  [288] | |
 PUMA | Performs analysis and visualization of chemical diversity |  [289] | |
Structure-based drug design | |||
 HADDOCK | Performs information-driven docking of biomolecular complexes (e.g. DNA, proteins, peptides, etc.) |  [290] | |
 FlexServ | Performs coarse-grained determination of protein dynamics |  [291] | |
 MDWeb | Provides standard protocol for preparing structures, run standard molecular dynamics simulations and analyze trajectories |  [292] | |
 PoseView | Displays simple molecular interaction diagram of protein-ligand complexes |  [293] | |
 SwissModel | Predicts protein structures via template-based homology |  [294] |