February 2008 eFlash

Events:	• 2008 SciTegic Pipeline Pilot User Group Meeting • 2008 Accord User Group Meeting
Latest at the Accelrys Community:	• Additions to the Pipeline Pilot Download Library • New Topic for Pipeline Pilot Discussion Forums
Product News:	• Discovery Studio Visualizer 2.0 and ActiveX Control • Announcing the Soon-to-be-Released, Materials Studio 4.3. • New Quantum Mechanics Applications Available in Materials Studio • SciTegic Pipeline Pilot Student Edition • Chemicals Available for Purchase (CAP) 2007.4
Upcoming Conferences:	• Advances and Progress in Drug Design • Smart Lab Exchange • Pharmaceutical Powder X-ray Diffraction Symposium • Conferences Listing
Product Training:	• Ongoing Training Opportunities

Events

The 2008 SciTegic Pipeline Pilot User Group Meeting - Hotel Deadline: February 8
Registration for the 7^th Annual SciTegic Pipeline Pilot User Group Meeting (UGM) is now open. The event will be taking place in San Diego, CA from March 5 through March 7 at the Inn At Rancho Santa Fe. We have negotiated a special room rate for all attendees; to secure this rate, rooms must be booked prior to 5pm (PST) on February 8, 2008. The UGM and optional training sessions are designed to make you more successful at using Pipeline Pilot applications, with an emphasis on solving real-world problems. For meeting details and registration,
visit the SciTegic Pipeline Pilot UGM home page >>>

The 2008 Accord User Group Meeting - Hotel Deadline: February 8
Registration is now open for the 2008 Accord User Group Meeting (UGM) taking place in San Diego at the Inn At Rancho Santa Fe on the afternoon of Tuesday, March 4, and morning of Wednesday, March 5. We have negotiated a special room rate for all attendees; to secure this rate, rooms must be booked prior to 5pm (PST) on February 8, 2008. This event is free to attend and will include an optional open-lab on Tuesday the morning, where you will be able to work with Accord experts to explore the software and address any questions you might have. The official meeting will take place from Tuesday afternoon through Wednesday morning. For details and registration, visit the Accord UGM web page>>>

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.
Here is the latest:

New Additions the Pipeline Pilot Download Library

Pymol Viewer: Takes a macromolecule (protein) or molecule (compound) records and views them in PyMOL.
Download it here >>>
COBALT Alignment Algorithm Components: Allows multiple sequences alignments using COBALT - COnstraint-Based ALignment Tool, on a Local or on a Remote machine.
Download it here >>>

New Topic for Pipeline Pilot Discussion Forums

Pet Peeves: This is a good time in the product release cycle to give us your input on any little things in the UI or framework in general that have been bothering you and you think could be improved. Access the forum here >>>

Product News

Discovery Studio Visualizer 2.0 and ActiveX Control Now Available – Free Download
Discovery Studio Visualizer 2.0 allows users to view and share protein and small-molecule data in a clear and consistent way, and in a wide variety of industry-standard formats. This free, easy-to-use visualization tool is an ideal solution for managers and researchers who need to collaborate with modelers, but do not need access to the expert-level analysis tools in Discovery Studio.

Also available for free download, DS Visualizer ActiveX Control gives you the ability to enhance graphical presentations by including interactive 3D visualization. Insert the ActiveX Control into Microsoft PowerPoint and Internet Explorer for impressive interactive graphical presentation of molecular structures.
Download DS Visualizer and Active X Control >>>

Announcing the Soon-to-be-Released, Materials Studio 4.3.
Materials Studio (MS) 4.3 delivers a range of tools that extends your modeling and simulation capabilities to systems larger than ever before. Tools in the areas of quantum mechanics, mesoscale modeling, and polymorph prediction enable users to increase the complexity of systems that can be modeled in the fields of nanomaterials, molecular crystals, polymers and organic chemistry. MS ONETEP models large systems fully quantum mechanically; MS QMERA provides a hybrid method that combines DFT and force fields; and MS Mesotek provides a coarse-grained approach that allows you to combine soft and hard materials into a single calculation. Read More About Materials Studio 4.3 >>>

New Quantum Mechanics Applications - Now Available in
Materials Studio
&specialty chemicals. Two new Accelrys products make it possible to model very large systems with quantum mechanical approaches. MS QMERA uses a hybrid QM/MM to combine density functional theory (DFT) and molecular mechanics. This approach yields results with accuracy that rivals that of pure DFT, but at a fraction of the computational cost. The other application, MS ONETEP, is a linear scaling DFT program designed specifically for calculations on large systems (> 500 atoms). ONETEP brings the accuracy of DFT to bear on systems such as protein-ligand complexes, grain boundaries, and nanoclusters – systems, which in the past, could only be treated by less accurate, approximate methods.
Read more about QMERA >>>
Read more about ONETEP >>>

SciTegic Pipeline Pilot Student Edition Now Available - Free to Academic Users
Accelrys has made a free version of SciTegic Pipeline Pilot available to the academic community. Pipeline Pilot is used by over 300 companies worldwide to streamline the integration and analysis of the vast quantities of data flooding the research informatics world. The Student Edition is a standalone version of Pipeline Pilot for individual academic users and comes with free component collections for statistics, reporting, and data and application integration. Academic users can also select from scientific collections in the areas of chemistry, sequence analysis, and gene expression in support of specific research efforts.

Hundreds of academic research groups from around the world have already begun using the SciTegic Pipeline Pilot Student Edition to integrate their scientific applications, create data flows, and share these with co-workers and other researchers in academia and industry. If you are affiliated with a research group at an academic institution, you can request your copy today. Request the SciTegic Pipeline Pilot Student Edition >>>

New Release - Chemicals Available for Purchase (CAP) 2007.4
CAP now covers 136 supplier catalogs, with the complete edition containing 5,677,641 unique reagents and screening compounds. CAP Reagents now has 770,300 compounds. You don't have to wait for the post, both are available from our Electronic Download site now. New Suppliers added in this release are: Ark Pharm, Arylchem, Atlantic Research Chemicals, Endeavour Speciality Chemicals Ltd, HAISO PharmaChem, and Phoenix Chemicals Ltd. CAP uses the power of the Accord Chemistry Cartridge and Oracle 10g transportable tablespace technology for faster data loading. Supported platforms are Windows/Linux 32 bit and Solaris 32 & 64 bit.
Get more information about the CAP database >>>

Upcoming Conferences

Advances and Progress in Drug Design
We invite you to join us for Advances and Progress in Drug Design at the Crowne Plaza in London, February 26-28. Visit us at the Accelrys booth to get a first-hand look at our latest drug discovery software solutions, including new methods for flexible docking, fragment-based design, and more. Rémy Hoffmann, Director Pre-Sales Support and Konstantin Poptodorov, Senior Scientist will host a pre-conference workshop on February 26, 13:30 - 17:00 (Glass Room). The workshop is entitled,
"Pharmacophore Tools in Drug Design as a Basis for Fragment-based Design and In-Silico Pharmacological Profiling."
Read further workshop details >>>

Venkat CM, Fellow, Accelrys will be giving a talk on February 27 at 15:40 where he will discuss, "Aspects of Ligand Docking and Scoring with Emphasis on Flexibility of the Receptor." Venkat will speak on the role of protein flexibility in ligand docking, automated methods for docking ligands using Discovery Studio, results of ligand docking with several protein systems, and the extension of this method to other conformation changes.

Smart Lab Exchange - Talk on Automating Scientific Processes and Reporting
Join us for Smart Lab Exchange taking place at Le Méridien Piccadilly, London, UK during February 6-7. Julian Willmott of Accelrys will be presenting a talk on Wednesday, February 6 at 12:05 pm, entitled, "Automating Scientific Processes and Reporting: Experiment Knowledge Management." As companies accumulate large amounts experimental data, essential information can become hard to search, hard to find or completely lost, and expensive experiments end up being repeated. In this talk Julian will discuss approaches to solving these problems through automating and tracking scientific processes in disparate areas such as analytical chemistry, biological experimentation and material formulations.

The Pharmaceutical Powder X-Ray Diffraction Symposium
Max Petersen will be giving a talk on February 26 at the Pharmaceutical Powder X-ray Diffraction Symposium in Orlando, FL. Max will be speaking on automated analysis of powder X-ray data using scripting and data pipelining techniques. View the talk abstract >>>

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

Smart Lab Exchange
(Le Méridien Piccadilly, London , UK - February 6-7)
Advances and Progress in Drug Design
(Crowne Plaza, London, UK - February 27-28)
The Pharmaceutical Powder X-ray Diffraction Symposium
(Orlando, FL - February 25-28)
High Content Analysis (Berlin, Germany - March 11-12)
Polymorphism and Crystallisation 2008
(London, UK - March 11-13)
InfoTech for Pharma & Biotech
(Basel, Switzerland - May 20-21)
2008 Northwest Regional Cytometry Meeting
(Portland, OR - March 13-15)
MRS Spring 2008 (San Francisco, CA - March 25-27)

For the most up-to-date info on our attendance at industry conferences, visit our website >>>

Product Training

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

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