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Crystal structures are predictable!Avant-garde Materials Simulation (AMS)
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Crystal structures are predictable! | avmatsim.de Reviews
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Avant-garde Materials Simulation (AMS)
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Newsletter
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D Crystal Structure Validation as a new Service. Research news – IUC. D validation of over 400 crystal structures. On 9 February 2015, Dr Jacco van de Streek and Dr. Marcus A. Neumann of the. Denmark, and Avant-garde Materials Simulation, Germany, made the IUC. R news with their work on the validation of experimental crystal structures by dispersion-corrected Density Functional Theory ( DFT. When correct experimental crystal structures are subjected to a DFT. We can validate your experimental crystal str...
Software
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2494 is now available for sale under an annual 512 core license. With the license we provide help with the initial software installation and extensive user training on-site and/or via web conferencing. Knowledge transfer is a major part of our business. GRACE. 24 is the most successful software for the crystal structure prediction of organic molecules. A scriptable command line interface. A dispersion-corrected driver for the DFT. A dispersion-corrected driver for TURBOMOLE. A 64 bit operating system.
Phamaceutical compounds with predictable structures
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Phamaceutical compounds with predictable structures. The compounds below have all been approved by the FDA. Between 2004 and 2008. The table lists the estimated time for a complete in silico polymorph screen with one molecule per asymmetric unit on our 384 core INTEL. Cluster. 88.5% of all crystal structures consisting of a single molecular species and having no molecule on a special position crystallize with one molecule per asymmetric unit. Next page: Our services. Estimated calculation time in weeks.
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Crystal structures are predictable!
The crystal structures of these pharmaceutical molecules are predictable don’t take any chances! More compounds with predictable crystal structures. You are worried that a competitor may patent a novel crystal polymorph of your best selling drug compound? You are concerned that the unforeseen appearance of a new crystal form with reduced solubility interrupts production after your product has finally reached the market? Then you should talk to us. Since 2002, AMS. Of crystal structure prediction. But inf...
Crystal structures are predictable!
The crystal structures of these pharmaceutical molecules are predictable don’t take any chances! More compounds with predictable crystal structures. You are worried that a competitor may patent a novel crystal polymorph of your best selling drug compound? You are concerned that the unforeseen appearance of a new crystal form with reduced solubility interrupts production after your product has finally reached the market? Then you should talk to us. Since 2002, AMS. Of crystal structure prediction. But inf...
Crystal structures are predictable!
Marcus Neumann, Founder and Managing Director. Why you should work for us. You may be a theoretical solid-state physicist from Moscow, a computer scientist from Boston, a crystallographer from Beijing or another skilled professional from one of the many locations that most people do now know of. And you may be dreaming of a lecture ship at the University of Cambridge, a permanent position at the MIT. Or a leading role in a large technology company such as GOOGLE. Alte Strasse 2 D-79249 Merzhausen, Germany.
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