Press Release: September, 25th, 2008
Molegro releases Molegro Virtual Docker 2008 (MVD v3.0.0)
Aarhus, Denmark, September 25th, 2008 - Molegro is pleased to announce a new release of Molegro Virtual Docker, an integrated platform for predicting protein-ligand interactions available for Windows, Linux, and Mac OS X. Molegro Virtual Docker offers high-quality docking based on a novel optimization technique combined with a user interface experience focusing on usability and productivity.
New features in version 3.0:
- Displaced Water Model: when docking with explicit water molecules, the new displaced water model allows a ligand to displace individual water molecules, making it possible to more accurately model water mediated ligand binding.
- Molecular Descriptors: MVD is now able to calculate various molecular descriptors, including our own topological CFDM (Chemical Feature Distance Matrix) descriptors.
- New protein preparation wizard: it is now easier to quickly validate a target receptor and to inspect and change protonation states. The new preparation dialog also makes it possible to repair, mutate, and minimize sidechains. The various protonation state templates are now stored in an user customizable XML file, making it easy to add new custom protonation patterns.
- The Data Analyzer in MVD has been updated with a Similarity Browser dialog that makes it easy to rank/screen compounds based on similarity to one or more reference ligands.
- Minor user interface improvements and bug fixes (see Release Notes for details).
To download a trial version, please visit our company website at: http://www.molegro.com.
For more information contact:
Rene Thomsen, CEO
Molegro
C. F. Moellers Alle, Bldg. 1110
DK-8000 Aarhus
Denmark
E-mail: rt@molegro.com
Phone: (+45) 89 42 31 65
About Molegro
Molegro is a Danish company founded in 2005. Our company concentrates on developing high-performance drug discovery solutions leading to a faster drug-development process. Our goal is to provide scientifically superior products focusing on both state-of-the-art algorithms and an intuitive graphical user interface experience.