• IF you have no time to read please go to the SHORTLIST page
  
  
• Keywords: in silico drug design, virtual screening, bioinformatics, molecular interactions, ADME-Tox, docking, aa variations, chemical space, QSAR, binding pockets & hot-spots, data mining, big data...
  
  
• Philosophy: Find the tools you need for your project
  
  
• How ? In the section Computational Biology and Chemistry about 2900 tools (online & standalone) & databases/datasets, organized in different tables, collected over a decade that assist drug discovery, chemical biology & research in the field of pathophysiology & precision medicine. Tools are grouped into 3 main categories: Chemoinformatics, Related tools and Bioinformatics. The same software/database can be in different tables. To make it easier, I tend to add tools directly in the shortlist page such as to have all at once even the list starts to be long
  
  
• History: ~400 links were first published by Villoutreix et al. in Curr Protein Pept Sci. 2007, 8:381-411 (I started to collect them for myself in 2002 but thought it could be valuable for other scientists, junior and senior). 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

Last update April 20  2018