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, structural bioinformatics, protein-protein and protein-membrane interactions, ADME-Tox, protein docking, mutations or variations, precision medicine, peptide docking, compound collections, DNA/RNA, QSAR, binding pockets, chemoinformatics...
- Philosophy: Find the tools you need for your project
- How ? You have in the section Computational Biology and Chemistry a list of about 2800 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. To make it easier, tools are grouped into 3 main categories: Chemoinformatics, Related tools and Bioinformatics. The same software/database can be in different tables as it can belong to different sections. Some notes are posted in Introduction to in silico drug design.
- History: About 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. Yet, clearly, the number of very valuable tools available online is increasing every year
Main 2015 FDA approved small molecules
Nota Bene: If this site is helpful for your work, please mention: Villoutreix et al. Drug Discovery Today 2013, 18:1081-9
I'll do my best to remove dead content twice a year. B. Villoutreix