October 2007 eFlash

Events:	• The Accelrys Science Forums • The 2007 SciTegic European User Group Meeting • The 2007 Accord European User Group Meeting
Webinars:	• Scientific Advances in Discovery Studio 2.0 • Enhance Your Image Processing and Analysis
Case Study:	• Replacing Existing Cheminformatics Infrastructure at Syngenta
Latest at the Accelrys Community:	• New Material Studio Scripts
Product News:	• New Science in Discovery Studio 2.0 • ChemMining Collection for Pipeline Pilot Now Available • Get an Up-Close Look at Materials Studio 4.2
Upcoming Conferences:	• Conference Listings
Product Training:	• New Training Options for Materials Modeling

Events

Get a First-Hand Look at the Latest Computational Solutions at the Accelrys Science Forums
The Accelrys Science Forums are free-to-attend, one-day events taking place throughout the US and Europe. Each location will feature a distinct agenda that delivers the most relevant speakers and topics from the region, including a number of leading scientists from both industry and academia. Hands-on sessions at the event will allow you to try the latest software solutions that can aid your research. These hands-on sessions will cover:

Pharmaceutical and Biotechnology: An introduction to Discovery Studio with a focus on the new user interface in Discovery Studio 2.0, integration with the SciTegic Pipeline Pilot data processing and analysis platform, scripting and new science. Try out new functionality in the areas of fragment-based design and flexible docking.
Chemicals and Materials R&D: This is your chance to try out new functionality in Materials Studio 4.2. See tools developed for the Nanotechnology Consortium, such as the new hybrid QM/MM tool combining GULP and DMol 3 . Alternatively, try your hand at scripting; use the new Adsorption Locator tool to find preferential adsorption sites on surfaces , or experiment with new mesostructure builder tools.
Platform Technology (US locations only) : Try out the latest developments in the SciTegic Pipeline Pilot data processing and analysis platform. This hands-on session includes an overview of the platform and its functionality, with a focus on data manipulation, integration, analysis and reporting. See the newest components for Gene Expression Analysis, Image Analysis, and chemical text mining with ChemMining.

The 2007 SciTegic European User Group Meeting – Register Now
Pistoia, Italy – October 10-12, 2007 (with optional training October 8-10)
Join us for our 5th Annual SciTegic European User Group Meeting (EUGM), which will take place in the Tuscan hills in the historic town of Pistoia, Italy from October 10th-12th. The EUGM and optional training sessions are designed to make you more successful at using Pipeline Pilot applications with an emphasis on solving real world problems. The meeting will be held in the Hotel Villa Cappugi . We have negotiated a special room rate (based on availability, so register early), which will be valid for the entire week of the meeting, as well as the weekends before and after for anyone wishing to extend their stay.
Details, Registration, and Hotel Booking Information >>>

The Accelrys 2007 Accord European User Group Meeting - Updated Agenda now Available! Pistoia, Italy - October 9-10, 2007
Join us at the Accord European User Group Meeting (EUGM) to hear how leading scientists from Pfizer, Syngenta, UCB and others are using a variety of Accord technologies to develop customizable cheminformatics solutions and applications for their end users to solve their research needs. Chat with other Accord users and Accord experts from Accelrys to discover tips and tricks, view demos & prototypes and find out the latest news on future Accord developments. Attend the first afternoon of the SciTegic EUGM for free, which is being held at the same venue.
More Information, Including Detailed Agenda, and Registration >>>

Webinars

Scientific Advances in Discovery Studio 2.0: All the Tools You Need for Drug Discovery in One Place. Webinar Series: October and November
Learn how you can access every tool you need for drug discovery in a single, easy-to-use environment with Discovery Studio 2.0. This landmark release includes a number of new scientific algorithms for tasks such as: pK prediction for proteins, rational flexible docking, fragment-based design, activity profiling, QSAR, protein-protein docking, and more. Join Accelrys scientists as they unveil the cutting-edge scientific advances available in Discovery Studio 2.0, the most sophisticated suite of modeling and simulation tools available.
Details and Registration >>>

Enhance Your Image Processing and Analysis
Webinar Series: October 17th and 24th
Enhance your image processing and analysis with the Advanced Imaging Collection for SciTegic Pipeline Pilot, which delivers new tools for learning and clustering, manipulating multidimensional image sets, and enhancing data processing of large image sets. Join us for this exciting webinar series to learn more about the latest innovations for advanced image processing, image data management, and high content data interaction.
Details and Registration >>>

Case Study

Replacing Existing Cheminformatics Infrastructure at Syngenta
Learn how Syngenta, a world leading agribusiness committed to sustainable agriculture through innovative research and technology, switched from multiple legacy cheminformatics systems to an Accord-based system built using a combination of Accord Enterprise Informatics and Accord Tools and Components. As a result, Syngenta has seen easier maintenance, reduced licensing costs, and has enjoyed a customizable solution that helps their scientists work together more effectively.
Read the Full Case Study >>>

Latest at the Accelrys Community

New Materials Studio Scripts
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. To view details and download the components and scripts, you must first register to become a member.
Here is the latest:

Calculates the charge density difference for a periodic system using DMol 3 . Download it here >>>
Uses the Dreiding forcefield to calculate the electrostatic and hydrogen bond contributions to the lattice energy. Download it here >>>
Changes the visibility of any half bonds in the system. Download it here >>>

Product News

New Science in the Landmark Release of Discovery Studio 2.0
Accelrys is please to announce the release of Discovery Studio 2.0. Based on extensive interaction with customers, this landmark release includes a profusion of new science aimed to deliver the most complete package of modeling and simulation tools for drug discovery available. Included are innovative algorithms for rational flexible docking, fragment-based design and activity profiling, providing ground breaking capabilities only available in Discovery Studio 2.0. Access new functionality for protein-protein docking, pK prediction for proteins, enhanced antibody modeling, QSAR, and more. Built on the SciTegic Pipeline Pilot open operating platform, Discovery Studio 2.0 is an infinitely extensible virtual discovery environment that allows you to integrate any tool you need to create solutions that are uniquely tailored to fit your research process. Learn More >>>

ChemMining Collection for Pipeline Pilot Now Available
The ChemMining Collection provides the ability to find chemical names in text documents and convert them to live chemical structures. You can use ChemMining to process one or a few documents, and create a report showing the structures found. You can analyze the structures, for example, to find the common scaffold structure, as well as analyze the document to understand the context of the structures within the text. Alternatively, you can use ChemMining to process a large set of documents, create a database of the structures found, and then search for documents containing structures of interest. Details >>>

For more information, contact your Accelrys sales representative or Andrew LeBeau, Product Manager (alebeau@accelrys.com)

Get an Up-Close Look at the Exciting New Functionality in Materials Studio 4.2
Learn more about all the exciting new functionality in Materials Studio 4.2 by viewing a recorded presentation. Materials Studio 4.2 is a significant release as it provides a wide range of new functionality as well as tools for workflow automation. New functionality includes: A mesoscale template builder allows users to build starting morphologies such as ordered micelles and bilayers; an interface to Gaussian ® 03 was developed in collaboration with Gaussian Inc.; and a new tool, Reflex Crystallinity, allows the degree of crystallinity from powder diffraction data to be estimated. Workflow automation in the areas of catalysis, crystallization, polymers and visualization is enabled via the MaterialsScript API (now including DMol 3 , Polymorph Predictor, and Reflex) and Pipeline Pilot componentization (such as a generic MaterialsScript as well as Reflex powder refinement and QPA components). In addition, a number of new developments exclusive to the Nanotechnology consortium are also included in the MS 4.2 release. The recording is in Windows Media Video format and should be viewed using Microsoft Internet Explorer browser (IE 6.0 with SP1 or above.) Download the Recording >>>

Upcoming Conferences

Conference Listings
In the coming months, visit us at the following conferences:

Nano TX 07 (October 3-4, Dallas, TX)
ACS Western Regional Meeting (October 9-13, San Diego, CA)
R&D Leaders Forum Autumn 2007
(October 15-17, Munich, Germany)
IBS Assays and Cellular Targets 2007
(October 17-19, San Diego, CA)
German Conference on Cheminformatics
(November 11-13, Goslar, Germany)
MRS Fall 2007 (November 26-30, Boston, MA)
Molecular Modelling 2007
(November 27-30, Victoria, Australia)

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

Product Training

New Training Options for Materials Modeling on our New Easier-to-Navigate Website
We've redesigned the training web-site to make it easier to see what training options there are for Materials Modeling – focusing our information on your research areas as well as our software modules. If you don't see the workshop you want in our list then feel free to complete the customized training request form and one of our trainers will contact you to help plan a training workshop specifically for you and your colleagues.
Training Request Form >>>

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