Accelrys and the Cambridge Crystallographic Data Centre Integrate the Cambridge Structural Database System with Materials Studio 4.1
News Jan 05, 2007
Accelrys has announced the integration of Materials Studio® 4.1, a comprehensive suite of PC-based modeling and simulation solutions for studying a wide range of materials properties and processes, with the Cambridge Structural Database (CSD), a principal product of the Cambridge Crystallographic Data Centre (CCDC).
The integration of Materials Studio and the CSD allows for initiation of a CSD search directly from Materials Studio, providing rapid access to atomic coordinate and other information relating to more than 400,000 crystal structures.
Alternatively, a substructure query prepared in Materials Studio can be automatically transferred to CCDC's ConQuest interface for subsequent database searches that take advantage of ConQuest's extended search capabilities.
Post-search analysis can be conducted in either Materials Studio or ConQuest. Crystallization plays an important role in various industries as a large-scale technique for separation, purification and structure determination.
Many compounds are either sold in their crystalline state or at least crystallized at some point during their production process. Knowledge of crystal structures is a prerequisite for the rational understanding of the solid-state properties of new materials.
Crystal structure determination is also required for reliable patent protection of new products. Dr. Frank Allen, Executive Director of the CCDC, is enthusiastic about the integration with Materials Studio: "The CSD is recognized as the world's repository of organic and metal-organic crystal structure data, holding more than 400,000 structures, with over 30,000 new structures archived annually.
The integration of the CSD System with Materials Studio provides access to this evaluated data source on the desktops of materials scientists worldwide. When combined with the tools in Materials Studio, the availability of these data will lead to improved productivity and the faster solution of problems related to crystalline states."
U.S. Study of Dapivirine Ring in Lactating Women Finds Little Drug Gets Into Breast MilkNews
The antiretroviral drug dapivirine that is released from an experimental vaginal ring to protect against HIV is absorbed in very low concentrations into breastmilk.READ MORE
Cell Recycling System Offers Therapeutic Entry Point for Rare Disease TreatmentNews
Scientists have demonstrated how an investigational drug works against a rare, fatal genetic disease, Niemann-Pick type C1 (NPC1).READ MORE
Cancer Cells Force Normal Cells to Act Like Viruses, Helping Tumors SpreadNews
Researchers reveal how cancer cells force normal cells to act like viruses – allowing tumors to grow, resist treatment, and spread.READ MORE
Comments | 0 ADD COMMENT
EMBL Conference: European Conference of Life Science Funders and Foundations
Apr 19 - Apr 20, 2018
EMBL Course: Target Engagement in Biology and Drug Discovery
Feb 19 - Feb 23, 2018