September 2007 eFlash

Events:	Join Renowned Scientists at an Accelrys Science Forum Near You The 2007 European Catalyst User Group Meeting Seminar: Connecting Molecular Modelling with Engineering The 2007 SciTegic European User Group Meeting The 2007 Accord European User Group Meeting
Webinars:	Chemical Text Mining X-ray Diffraction Analysis
Case Study:	Strengthening Cheminformatics at Incyte Corporation
Latest at the Accelrys Community:	New Material Studio Scripts
Product News:	Materials Studio 4.2 Now Available Accord Draw 1.0 Now Available BioCatalysis 2007.1 Just Released
Upcoming Conferences:	Conference Listings
Product Training:	Ongoing Training Opportunities

Events

Join Renowned Scientists at an Accelrys Science Forum Near You
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. Join them to learn how computational and informatics solutions have been applied in these areas:

Pharmaceutical and Biotechnology Research: Talks will cover rational flexible docking, QM/MM, pk predictions for proteins, antibody modeling and docking, and de novo fragment-based design.
Chemicals and Materials R&D: Talks will cover catalysis, nanotechnology, crystallization, and QSAR.
Platform, Informatics, and Reporting Solutions: Talks will cover enterprise and desktop cheminformatics solutions, reporting and drill-down dashboards, high content analysis, and web service & application development within an SOA environment.

* Note that the topics covered within each track will vary from location to location.

The 2007 European Catalyst User Group Meeting - More Speakers Added
Sicily, Italy - October 4-5, 2007
The tenth European Catalyst User Group Meeting and Advanced Seminars in Catalyst will be held at the University of Messina in Sicily, Italy on the 4th-5th of October. This event offers a unique opportunity to see the latest developments, including Catalyst in its new environment as a part of the Discovery Studio platform; share insights and issues with other scientists working in related fields; and influence the future product development. The agenda will feature a number of prominent speakers from both academia and industry. The presentations will include a range of case studies, demonstrating how Catalyst is being used to accelerate discovery research.
Talks >>>

Connecting Molecular Modelling with Engineering: Multiscale Approaches & New Tools for Kinetics. Seminar: September 11, 2007 - University College Dublin, Ireland
Join renowned scientists during this one-day event to explore how multiscale approaches and tools for kinetics will help connect molecular modelling with engineering, improving processes and creating a communication channel between often disconnected research groups. The seminar includes talks from Dr. Sam French (Johnson Matthey TC), Dr. Karsten Reuter (Fritz Haber Institute Berlin), Prof. Thomas Frauenheim (Bremen Center for Computational Materials Science), Dr. Paul Sherwood (Daresbury Lab.), and Dr. Marek Hytha (MEARS Technologies), as well as a hands-on session. Learn how the Accelrys Nanotechnology Consortium brings together leading commercial, academic, and government organizations to guide the development of such multiscale approaches empowering researchers to:

Increase the yield of reactions
Bridge the gap between the atomistic and macroscopic/engineering levels
Reduce the number of non-successful experiments
Connect modelling results with real process conditions

Details and Registration >>>

The 2007 SciTegic European User Group Meeting – Request for Presentations
Pistoia, Italy – October 10-12, 2007 (with optional training October 8-10)
We are soliciting user-presentations for our 5th Annual European User Group Meeting , which will be held in Pistoia, Italy from Wednesday, October 10th to Friday, October 12th. Optional training courses will be offered prior to the EUGM from Monday, October 8th to Wednesday, October 10th. We would love for you to share your experiences or accomplishments with your colleagues – this is what makes the meeting most valuable! There will be two types of user-presentations this year:

Application Presentations: 25 minute presentation about a scientific, integration, or implementation challenge
Protocol Presentations: 10 minute presentation of an interesting or challenging protocol you built

Talks >>>

The Accelrys 2007 Accord European User Group Meeting - Request for Presentations
Pistoia, Italy - October 9-10, 2007
We are soliciting user-presentations for the Accord European User Group Meeting taking place October 9th – 10th. Please consider sharing your experiences or accomplishments with your colleagues. Your presentation can cover any aspect of your implementation or use of Accord products and their integration with other software, or within your larger systems. Relevant algorithmic or systems development talks are also invited. Presentations that combine the use of Accord and SciTegic Pipeline Pilot will be considered for both the Accord and SciTegic EUGMs.
Talks >>>

Webinars

Chemical Text Mining - Find Chemicals in Text using the ChemMining Collection for Pipeline Pilot
Webinar - Wednesday, September 26, 2007
Join us to learn how you can mine patents, full text articles, journal abstracts, and internal document repositories to uncover context-specific data about chemical structures of interest. These resources contain highly-valuable information regarding chemical entities and related terms and concepts. However, unlocking the value is often difficult due to the amount of information available, as well as the complexities and subtleties of extracting information in an automated process. The ChemMining Collection can help you extract knowledge, save time, and avoid duplication of research efforts.
Details and Registration >>>

X-Ray Diffraction Analysis - Accessible throughout Your Organization
Webinar - September 19, 2007
High quality computational tools are an invaluable resource for the analysis of powder X-ray diffraction data. These tools can be used to access important information about a sample, such as phase identity, mixture composition, and the degree of crystallinity of a sample. Join us for this webinar to learn more about new solutions that will help you:

Utilize high-quality computational tools for the analysis of power x-ray diffraction data
Create and automate workflows that can be shared throughout an organization
Provide non-expert users with sophisticated analysis tools via web deployment
Integrate algorithms and applications to create truly customized solutions

Details and Registration >>>

Case Study

Strengthening Cheminformatics at Incyte Corporation - Migrating from RS 3 to Accord Enterprise Informatics
Learn how the Accelrys Implementation Group assisted the Incyte Corporation, a company that develops small molecule drugs for conditions such as HIV, diabetes, oncology and inflammation, to deliver faster compound registration to its chemists and improve customization capabilities to its Informatics developers by migrating Incyte's corporate registry system from Accelrys' RS 3 to Accord Enterprise Informatics (AEI).
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:

Two scripts to calculate the radial distribution function for repeat units in polymers.
Download it here >>>
Updated version of the popular cohesive energy density and solubility parameter calculation script. The new version is more robust against errors in individual frames and uses features of the new Materials Studio 4.2 API. Download it here >>>

Product News

Materials Studio 4.2 Now Available
Accelrys is pleased to announce the release of Materials Studio 4.2. 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 within Materials Studio 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 DMol3, 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. More information >>>

Accord Draw 1.0 Now Available
The first version of Accord Draw, a new desktop chemistry editor for drawing chemical structures and reactions, has just been released. Version 1.0 offers convenient, customizable toolbars and shortcuts to drawing tools, atom and bond types, query features and associated properties so that you can easily draw a wide range of chemical objects from the simplest molecules to complex reaction schemes. Accord Draw supports Accord depiction styles, a diverse range of file formats and is supported by a variety of Accord applications and products. More information, including a free 30-day trial >>>

BioCatalysis 2007.1 Just Released
BioCatalysis provides you with an up-to-date, comprehensive reference source on the use of biomolecules as catalysts in organic synthesis. This latest release contains over 3,000 newly abstracted reactions from papers published in 2007 and earlier to provide you with the most up-to-date knowledge base to assist you when planning organic synthesis. Find out more >>>

Upcoming Conferences

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

High Content Analysis Europe (September 24-26, Prague, Czech Republic)
ACS Western Regional Meeting (October 9-13, San Diego, CA)
MRS Fall 2007 (November 26-30, Boston, MA)

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 , Bioinformatics , Cheminformatics and Pipeline Pilot.

eFlash Archive