May 2008 eFlash

Events:	Accelrys Science and Technology Forums Seminar Series: Leveraging Scientific Data Across the Enterprise
Publication:	Materials Modeling from Quantum Mechanics to the Mesoscale
Latest at the Accelrys Community:	New Additions to the Pipeline Pilot Download Library New Materials Studio Scripts New Discovery Studio Protocols
Webinar Series	Discovery Studio 2.1
Partners Update :	Accelrys Collaboration with CLC Bio
Upcoming Conferences:	InfoTech for Pharma and Biotech NSTI Nanotech 2008 Conference Listings
Training:	Ongoing Training Opportunities

Events

Accelrys Science and Technology Forums - More Speakers Added
Paris (June 12) • Cambridge (June 26) • Heidelberg (Sept. 18)
Returning for a third consecutive year, Accelrys Science & Technology Forums will be held at three European locations in the coming months. We invite you to join us for these one-day regional events to hear presentations from prominent scientific researchers from industry and academia. You will have the opportunity to learn how innovative computational solutions for modeling and simulation, informatics, and data integration & reporting are being successfully applied to research in the Pharmaceutical/Biotech and Chemicals/Materials industries. Hands-on computer labs with Accelrys scientists will be available for you to get an up-close look at the latest software solutions and find out how they can help address your research challenges.

The Paris agenda is now available and contains numerous prominent guest speakers from throughout the region. We are continuing to develop the agendas for Cambridge and Heidelberg; please check back with us as they will be available soon. While attendance for all of these events is free-of-charge, we encourage you to reserve your place early as spaces are limited.
See confirmed speakers per location and register for an event here >>>

Seminar Series: Leveraging Scientific Data Across the Enterprise
San Francisco (May 6) • San Diego (May 7)
After kicking off in Princeton and Boston, the Leveraging Scientific Data Across the Enterprise seminar series is heading west. Join us in San Francisco (May 6) or San Diego (May 7) to learn how you can transform your scientific data from burdening to empowering. At each of these free-to-attend, half-day seminars you can learn more about the latest SciTegic software and technology solutions, and hear from guest speakers who have put these solutions to use to solve real-world problems. Read further details >>>

Publication

Materials Modeling from Quantum Mechanics to the Mesoscale
Molecular modeling has established itself as an important component of applied research in areas such as drug discovery, catalysis, and polymers. Algorithmic improvements to these methods coupled with the increasing speed of computational hardware are making it possible to perform predictive modeling on ever larger systems. A recent publication in Computer Modeling in Engineering and Sciences (CMES) presents recent examples of how modeling of such systems has had an impact on real-world engineering problems, and discusses the outlook for the future.
Read more at the CMES web site >>>
* note: look for the article midway down the table of contents on the page linked from above

Latest at the Accelrys Community

The Accelrys Community website provides the opportunity for users to share and download scripts and Pipeline Pilot components written by both users and Accelrys scientists. Discussion forums on the website provide an open forum for customers to engage in discussion of scientific and technical topics with one another and with Accelrys scientists. To view details and download the components and scripts, you must first register to become a member.

Want to get automatically updated when new posts are made into the forums? Click here to find out how. Here is the latest:

New Additions to the Pipeline Pilot Download Library

Pipeline Pilot and Discovery Studio: Using DiscoveryScript in a protocol to identify the intramolecular hydrogen bonds. Download it here >>>
Spectral Clustering. Download it here >>>
Using Perl Molecular Toolkit to calculate the number of carbon atoms with Hybridization SP3 and SP2. Download it here >>>

New Materials Studio Scripts and Feedback Invitation

Classify torsion contributions from a torsion analysis as cis, trans, gauche plus and gauche minus. Download it here>>>
Generate ESP charges for periodic systems. Download it here >>>

New Discovery Studio Protocols

3D Conformer/Active Site Visualization in Web Port. Download it here >>>
Change a set of compound names to a common root name, followed by a number, in order of decreasing activity. Download it here >>>
Color C-alphaatoms a unique color based on their molecule name and/or chain name.
Download it here >>>
Batch process Solvent Accessible Surface Area calculation for all pdb files in a directory.
Download it here >>>

Webinar Series

Discovery Studio 2.1 Webinar Series - Coming Soon
Discovery Studio 2.1 will be available soon. This latest release will include new science for drug discovery research, including a powerful new QM/MM method for structure-based design. It will also feature unprecedented capabilities for customization, allowing you to create unique solutions that are precisely tailored to meet your needs. The webinar series is set to begin toward the end of May or early June. Check the webinar section of our website in the coming weeks for updates. Topics to be covered include:

Toward accuracy with QM/MM tools in Discovery Studio - theory and applications
Advances in Protein Modeling and Protein-Protein Interactions in Discovery Studio
Fragment-based Design – theory and applications
Advances in Pharmacophore Modeling and Parallel Screening – theory and applications
Workflow Customization with DS Developer Client
Tips and Tricks in using Discovery Studio

An Update From our Partners

Accelrys Partnership with CLC bio
We are happy to announce our collaboration with one of the leading bioinformatics solution providers, CLC bio. The partnership brings many synergies to both Accelrys and CLC bio, and adds much value to our customers. In the first phase of the collaboration, CLC bio provides full integration of SciTegic Enterprise Sever with CLC bio’s advanced desktop-based sequence analysis software, as well as their Next Generation Sequencing and High Performance Computing solutions. Integrating CLC bio’s solutions with the SciTegic platform is a perfect way to leverage Accelrys’ growing offering of “Omics” Collections. Another dimension of the partnership is CLC bio’s offer of replacing DS Gene software with their top-of-the-line desktop product, CLC Combined Workbench, at a competitive price. To learn more about these new solutions, contact Accelrys Product Manager, Nancy Latimer at nlatimer@accelrys.com

Upcoming Conferences

InfoTech for Pharma & Biotech - Basel, Switzerland - May 20-21
Join us at InfoTech for Pharma & Biotech in Basel, Switzerland. Come see Accelrys and HP at booth #1 for demonstrations of our latest releases like Scitegic Enterprise Server and Discovery Studio 2.1 on HP hardware systems. Frank Brown, CSO of Accelrys, will be giving a talk on May 20 entitled, "Putting Information in Context to Drive Informed Decisions: Information Driven Processes, not Data Driven." As an Accelrys eFlash subscriber, you are entitled to a 25% discount from the conference registration fee; simply use the following code when registering: CQ7037ACC. If you have any questions or would like to prearrange a meeting with our CSO or any of our technical scientists in attendance, please contact Adele Willacy, awillacy@accelrys.com

NSTI Nanotech - Boston, MA - June 1-5
Accelrys will be present at NSTI Nanotech, taking place in Boston from June 1-5. Stop by the Accelrys booth to get a first-hand look at the latest computational solutions for nanotechnology. Join us for a presentation in the ICCN symposium on Thursday, June 5, 10:50 AM on "Unravelling the interaction of ammonia with carbon nanotubes."

Conferences Listing
In the coming months, visit us at following events:

InfoTech for Pharma & Biotech (Basel, Switzerland - May 20-21)
NSTI Nanotech 2008 (Boston, MA - June 1-5)

For the most up-to-date info on our attendance at industry conferences,
Visit the Conferences page >>>

Product Training

Ongoing Training Opportunities
Accelrys offers ongoing training in Life Science, Materials Science,Cheminformatics and Pipeline Pilot.

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