New products
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www.scientific-computing.com/products
StarDrop 5.3 Optibrium has released version 5.3 of its StarDrop platform, with new features focused on the design of virtual libraries, guided by StarDrop’s multi- parameter optimisation capabilities to prioritise compounds with the best balance of properties for synthesis and testing. In addition, version 5.3 introduces its virtual library design capability as part of StarDrop’s Nova module.
Optibrium explains that after drawing the scaffold on which the library will be based, scientists can select multiple functional groups, atoms or fragments to vary at each point of modification. These lists may be selected from a user-defined or centrally managed library, or sketched on an individual basis. StarDrop’s core features have also been enhanced, including easy-to-use tools
for clustering, filtering based on substructure or properties and extensions to the platform’s interactive data visualisation.
www.optibrium.com
Molegro Virtual Docker 5.5
Version 5.5 of Molegro Virtual Docker, an integrated platform for computational drug design available for Windows, Linux and Mac OS X, has been released by CLC bio. Molegro Virtual Docker offers high-quality protein-ligand docking based on novel optimisation techniques combined with a user interface experience focusing on usability and productivity. New features include a new ‘Energy Maps’ tool that provides volumetric visualisation of protein force fields; an improved ray-tracer that
Clarity LIMS
GenoLogics Life Sciences Software, a provider of laboratory information management systems (LIMS), has introduced Clarity LIMS. Specifically designed for sequencing, Clarity LIMS is an intuitive laboratory management system that combines information management essentials for CLIA- certified and regulated labs with a clear and easy- to-navigate interface. In addition to providing support for clinical lab
directors as they work on achieving or maintaining CLIA certification, the solution assists lab directors with workflow enforcement, adherence to standard operating procedures and handling the complexities of next-generation sequencing. The new role- optimised interface is designed to manage the flow of samples through the lab, and will enhance lab efficiency by becoming a planning tool.
www.genologics.com
www.scientific-computing.com Vortex
Dotmatics has released the latest version of Vortex, its data analysis and visualisation tool designed for scientists working in chemistry, biology and engineering. Vortex can load datasets with millions of datapoints, create high quality graphs, and produce visualisations ready for presentation or publication. In addition, Vortex can consume data from Dotmatics’ flexible data query and federation platform, Browser. The new release of Vortex integrates OpenAstexViewer and will enable scientists to directly visualise chemical structures and ligand complexes in 3D and 2D. Researchers can now explore their data using surface and contour plotting techniques.
www.dotmatics.com
more closely matches the live 3D view output, enabling the creation of high-resolution renderings of the 3D view; and a new execution mode in the Docking Wizard: ‘Run Docking in Multiple Processes’. This enables medium-sized jobs to be run on a local machine, while utilising multiple CPU cores and even multiple GPU graphics cards. The company advises that for large jobs on multiple machines, Molegro Virtual Grid should still be used.
www.clcbio.com
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