Category: modelling

Software ‘brings simulation to everyone’

The latest release of Comsol Multiphysics makes it easier for simulation specialists to share their design and development work with production and testing colleagues, and runs up to five times as fast, says Comsol. Version 5.2 offers a fully integrated…

Free molecular modelling software

JUST DAYS after launching its TorchV10 molecular modelling software, Cresset has released a free version. Offering 3D molecular viewing, sketching, and editing, TorchV10lite is available for Windows, Linux, and Mac.   The software works with 2D and 3D structures, displaying the…

Next-generation molecular design on the desktop

MOLECULAR design on the desktop is the promise of TorchV10, described as a next-generation software tool for medicinal chemists. Offering molecule design and 3D SAR (structure-activity relationship) modelling, the package allows molecule properties to be visualised and modified easily, says…

StarDrop now interfaces with FieldAlign

EARLIER this year, Optibrium and Cresset announced a ‘technology exchange’, which has now manifested in the first practical collaboration between the companies. The latest version of Optibrium’s compound identification software, StarDrop 5.2, includes a module to access Cresset’s 3D compound…

Design a molecule, win an iPad

CAN YOU design a molecule biologically similar to, but not the same as, a specified reference compound? The task isn’t quite as easy as simply swapping an atom or two, as the newly-designed molecule must be synthetically tractable and drug-like,…