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: February 1, 2012