Computational Approaches and "Free" Resources to Assist Drug Discovery, Chemical Biology & Precision Medicine
- IF you have no time to read: go to the SHORTLIST page
- Keywords: in silico drug design, virtual screening, bioinformatics, protein-protein and protein-membrane interactions, ADME-Tox, protein & peptide docking, amino-acid variations, precision medicine, compound collections, QSAR, binding pockets and hot-spots...
- Philosophy: Find the tools you need for your project
- How ? In the section Computational Biology and Chemistry about 2850 tools (online & standalone) and databases/datasets, organized in different tables, collected over a decade that assist drug discovery, chemical biology and research in the field of pathophysiology and precision medicine. Tools are grouped into 3 main categories: Chemoinformatics, Related tools and Bioinformatics. The same software/database can be in different tables. You can also go directly to the shortlist page.
- History: ~400 "free" tools and databases in the area of drug design and structural bioinformatics were first published by Villoutreix et al. in Curr Protein Pept Sci. 2007, 8:381-411. When this site was launched in 2006, the focus was essentially on Virtual Ligand Screening and structural (3D) bioinformatics, thus the name VLS3D. Since then, some related topics have been added.
Nota Bene: If this site is helpful for your work, please cite: Villoutreix et al. Drug Discovery Today 2013, 18:1081-9
I'll do my best to remove dead content twice a year. Bruno Villoutreix