Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site
MEDIT presents a new work and results on Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site by using MED-SuMo to retrieve the best fragments and MED-Hybridise to create new ligands. This article is available on: http://www.springerlink.com/content/w524371333636u72/
Sanofi-Aventis acquires MED-Hybridise technology
Sanofi-Aventis decides to use MED-Fragmentor to build the database of MED-Portions (protein-fragments structural object) and MED-Hybridise technology to rationally generate fragment-based chemical compounds by crossing the PDB and chemical supplier databases.
ICSN acquires MED-SuMo technology.
ICSN decided to use MED-SuMo technology to enhance its work on protein characterization and highlight structural links between proteins. MED-SuMo is a powerful molecular modelling software to compare surface interactions in few minutes toward the PDB (comparison in term of chemical features and shape).
MEDIT announces research contract with MUTABILIS
Under the terms of the agreement, MEDIT will apply its molecular modelling expertise on two MUTABILIS targets to provide affinity model to optimise MUTABILIS' proprietary molecules for their anti-infective programs.
MEDIT first release of a pipeline pilot component collection
MEDIT has joined others software editors in the Accelrys Independent Software Vendors (ISV) partner program.
This first release consists of three modules: MED-SuMo server, MED-Hybridise Lead discovery and MED-Hybridise Lead optimization. The modules facilitate our target based ligand generation protocol: populating a binding site with 3D fragments and generating/optimizing leads.