Chemical Computing Group, Inc. and Platform Computing announced that they have made their flagship products compatible in order to accelerate computer-assisted drug discovery. CCG’s Molecular Operating Environment (MOE™), an integrated suite of powerful drug discovery applications, can now be combined with Platform’s LSF, the leading solution for production-quality workload management. Used in tandem, they represent a powerful new way for researchers at pharmaceutical companies to perform large-scale distributed computations that are easy to set-up and manage.
MOE’s flexibility is ideal for researchers who wish to use distributed processing to tackle larger problems:
− Its applications can be run either interactively or in batch mode.
− Its built-in MOE/smp™ technology enables its applications to run as distributed processing jobs.
− MOE supports a wide variety of operating systems including Windows and Linux and runs on almost any computer including laptops, scientific workstations, and departmental server clusters.
These advantages mean that scientists can launch distributed MOE processing across almost any collection of computers available on their network. When running MOE in this way, LSF provides additional convenience including the ability to select machines according to the resource requirements of the job and to monitor execution. Terry Higgins, CCG Director of Research and Development, commented, “Given MOE’s inherent distributed processing capabilities, becoming a Platform Partner makes sense for CCG. It means we can deliver additional value to our clients doing distributed processing such as conformational analysis and protein fold determination since they can now use complementary products from Platform such as LSF.”
“We are pleased that we’re able to partner with CCG to help them optimize their customers’ compute infrastructure through our grid technology solutions,” said James MacDonald, Vice President, Business Development, Platform Computing. “Scientists can now effectively gain more control of the discovery process by being able to harness the processing power of globally distributed, heterogeneous IT resources to allow them to achieve more simulations and testing, yielding better and faster results.” An Application Note in the Partners section of the Platform web site, www.platform.com, describes in detail how MOE and LSF can be used together.
About CCG
Chemical Computing Group Inc. is a leading provider of computational applications aimed at the drug discovery and design marketplace. CCG’s flagship product is the award winning Molecular Operating Environment (MOE), which offers visualization, simulation, and methodology development in one package. MOE provides an integrated suite of powerful, yet intuitive chemistry software tools for HTS, Structure Based Design, Molecular modeling, Protein and Homology modeling, as well as an embedded programming language for the rapid prototyping of scientific methods. Computational chemists, medicinal chemists and biologists use MOE in pharmaceutical companies, biotechnology companies, and universities worldwide. CCG is located in Montreal. Its web site is www.chemcomp.com. E-mail inquiries can be sent to info@chemcomp.com.
About Platform
Platform Computing's intelligent, practical enterprise grid software solutions help organizations optimize IT resources to Accelerate Intelligence™. We plan, build, run and manage grids that link IT to core business objectives, and help our customers improve service levels, reduce costs and enhance business performance. With industry-leading partnerships and a strong commitment to standards, we are at the forefront of grid software development, propelling over 1,600 clients toward powerful insights that create real, tangible business value. For more information please visit www.platform.com.