Events

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The 2008 SciTegic Pipeline Pilot User Group Meeting - Save the Date - March 5-7, 2008 - San Diego, CA
Join us at the 7th Annual SciTegic Pipeline Pilot User Group Meeting (UGM), which will take place in San Diego, CA on March 5th - March 7th at the Inn at Rancho Santa Fe. Registration for this event will open the week of December 17. 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. Optional training sessions will be held prior to the UGM from Monday, March 3rd to Wednesday, March 5th. We are currently soliciting user-presentations and would love for you to share your experiences or accomplishments with your colleagues. There are two types of presentations:

• 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

Submit your presentation proposal >>>

The 2008 Accord User Group Meeting - Mark Your Calendars. March 4-5, 2008 - San Diego, CA
The 2008 Accord EUGM will take place in San Diego at the Inn at Rancho Santa Fe on the afternoon of Tuesday, March 4th, and morning of Wednesday, March 5th. Registration for this free-to-attend event will open the week of December 17. The UGM provides you with a chance to hear the innovative ways in which other users are applying Accord solutions to their research, as well as the opportunity to give direct feedback about your needs and wishes for future product development to the Accord development and marketing groups. The event will begin with an optional open-lab on Tuesday morning, March 4, where you will be able to work with Accord experts to explore the software. After the Accord UGM ends at lunchtime on March 5, you will have the option to join the first afternoon of the SciTegic Pipeline Pilot User Group Meeting, which is being held at the same venue from March 5th – March 7th. Please consider submitting a presentation proposal and help make this Accord UGM a great success.
Submit your presentation proposal >>>

Accelrys Science Forums - A Great Experience for Attendees
The Accelrys annual Science Forums proved yet again to be a successful series of events with hundreds of delegates attending to hear scientific talks from renowned scientists throughout Europe and the US. The events took place in 9 different cities from September through to November. Each location featured a distinct agenda that brought the most relevant speakers and topics from each region, including a number of leading scientists from both industry and academia. Hands-on sessions allowed attendees to get an up-close look at all the latest Accelrys software solutions and receive one-to-one guidance from Accelrys scientists. Science Forum attendees provided a great deal of positive feedback and came away extremely satisfied from these events. The Science Forums will return again next year so we hope you can join us at a future location near you.

Webinars

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Connecting Molecular Modeling with Engineering - First Principles Kinetic Modeling in Catalysis - December 4th , 2007
Learn how to connect molecular modeling with real process conditions by bridging the gap between the atomistic and macroscopic/engineering levels. As an expert in the field, Prof. Matthew Neurock of the University of Virginia will be presenting how molecular modeling can be connected with the engineering scale using Kinetic Monte Carlo. The basics of the method and important industrial examples related to catalytic processing will be presented.
Registration and Details >>>

Publications

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Theoretical Prediction of Intrinsic Self-Trapping of Electrons and Holes in Monoclinic HfO2
HfO2 is one of the leading candidates to replace the SiO2 gate oxide in field-effect transistors. New research from University College London, Accelrys, and SEMATECH has identified a mechanism that could cause unstable operation in transistors containing this material. These calculations show that polarons (an electron or a hole that has polarized the lattice around it to create a potential energy well) occur even in a perfect lattice. Polarons could cause a problem for transistor performance and reliability. Read more in the summary featured in Materials Today >> or Access the original publication >>

Validation Studies of the Site-Directed Docking Program LibDock
This joint publication between GlaxoSmithKline and Accelrys shows LibDock is one of the top performers among ten docking programs (Glide, GOLD, FlexX, Fred, MOE, Dock4, and others) when applied to eight receptor targets. Specific successes with LibDock include:

• Best recovery of X-ray pose for HCV Polymerase and Factor Xa
• Best enrichment of actives after within 10% of scored compounds in a virtual screening experiment with Gyrase B Isomerase

Request here >>>

Latest at the Accelrys Community

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New Materials Studio Scripts and Additions to the Pipeline Pilot Download Library
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:

• A Materials script that rotates a molecule and creates a trajectory, enabling the creation of movies of rotating molecules. Download it here >>>
• A Materials script that computes the free energy of chemical reactions with DMol 3 .
  Download it here >>>
• Spotfire connector for Pipeline Pilot from Discngine. Download it here >>>
• Pipeline Pilot Benchmark and Batch Size Optimization protocol from Discngine. Download it here >>>
• Check out the new Pipeline Pilot download library to see additional components and example protocols from SciTegic staff and users like you. View it here >>>
  

 

Product News

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New Gene Expression Collection for Pipeline Pilot
The first version of the Gene Expression Collection will be released on December 15, 2007. Core functionality is based on BioConductor, an open source and open development software project, devoted to analysis of genomic data that is implemented in open source R language. With this collection you can go from raw data all the way to advanced analysis completely within Pipeline Pilot. The Gene Expression Collection may be added to an existing Pipeline Pilot Version 6.1.5 server. More information >>>

 

Upcoming Conferences

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Conferences Listing
In the coming months, visit us at Theory, Modeling and Computational Methods for Semiconductor Materials and Nanostructures (Jan. 31 - Feb. 1, Manchester, UK)

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

Product Training

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

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Legal and privacy information
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