VirtualToxLab™ 4.4 May 1, 2012
Version 4.4 of the VirtualToxLab™ is currently undergoing final testing. It features new versions of both the Alignator and Cheetah software for even more accurate flexible docking and new mQSAR models based on focussed pharmacophore libraries. Tentative release date is June 1, 2012.
→ Most recent publication (Toxicol. Appl. Pharmacol. 2012)
Release of VirtualToxLab™ 4.2 January 1, 2012
Version 4.2 of the VirtualToxLab™ has been released. It features the software Alignator 2.0 for more accurate docking and includes a new model for the progesterone receptor. In addition, the algorithm for automated, flexible docking (software Cheetah) checks for both hydrogen-bonding and hydrophobic saturation. It tests the binding of small molecules against a total of 16 target proteins: AR, AhR, CYP1A2, CYP2C9, CYP2D6, CYP3A4, ERα, ERβ, GR, hERG, LXR, MR, PPARγ, PR, TRα and TRβ.
Free Download of Biographics Software October 1, 2011
The Biographics software products BioX (model-building and refinement), YetiX (protein molecular-mechanics), QuasarX (6D-QSAR) and MoMoX (crystal-structure analyzer) are freely available.
Release of VirtualToxLab™ 4.0 September 1, 2011
Version 4.0 of the VirtualToxLab™ has been released. Its module for automated, flexible docking (software Cheetah 2.5) now features a dynamic solvation algorithm allowing for the identification of water molecules mediating ligand—protein interactions as well as a novel function to quantify the hydrogen-bond saturation.
→ Computed water structure around Bisphenol F bound the estrogen receptor α
Release of the OpenVirtualToxLab™ October 1, 2010
The OpenVirtualToxLab™ has been launched for institutional users with occasional need of the technology. It is freely available to non-profit organizations.
→ Information and on-line registration.
Last update of this website: May 16, 2012