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November 2007 eFlash
| Events: | |
| Webinars: | |
| Latest at the Accelrys Community: | |
| Product News: | |
| Upcoming Conferences: | |
| Product Training: |
Events
Accelrys Science Forums a Success - Three Locations Still Upcoming in November
The Accelrys Science Forums are free-to-attend, one-day events that are taking place in the US and Europe throughout October and November. Each location features 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. Thus far, Science Forum attendees have provided a great deal of positive feedback and have come away extremely satisfied from these events.
SciTegic European UGM Features Innovative Science from Partners and Customers
A record number of 60 people attended the recent European User Group Meeting in Pistoia, Italy. Eight Accelrys ISV partners presented components integrated with the SciTegic Pipeline Pilot platform. Among them were IBM, COSMO/Logic, DeltaSoft, Molecular Networks, Agilent, and Disngine. Notable user talks were presented by Ian Stott (Unilever), Gareth Wilden (AstraZeneca), and Daniel Smaragd (UCB).
Webinars
Webinar Series: Scientific Advances in Discovery Studio 2.0: All the Tools You Need for Drug Discovery in One Place - November 2007
Learn how you can access every tool you need for drug discovery in a single, easy-to-use environment during this exciting webinar series that has been taking place throughout October and November. Recordings for the October webinars on the Discovery Studio 2.0 overview, pK prediction for proteins, and flexible docking are now available. During the month of November, Accelrys scientists will present on fragment-based design and activity profiling, QSAR and library design, improved antibody modeling, and protein-protein docking.
Details and Registration >>>
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 >>>
Latest at the Accelrys Community
New Materials Studio and Discovery Studio Scripts and Protocols
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 Discovery Studio protocol which combines solvation with a Standard Dynamics Cascade component.
Download it here >>> - An update of the protocol for calculating binding free energy for a single complex trajectory - updated to Discovery Studio 2.0 and runs on Linux. Download it here >>>
- Recalculates attachment energies from a growth Morphology using DMol3 with solvent effects. Download it here >>>
- Performs a Pawley refinement on a set of crystal structures in a study table using a user-defined X-ray powder diffraction pattern.
Download it here >>>
New Download Library and Discussion Forum for Pipeline Pilot Users
With the inclusion of a new Pipeline Pilot download library and discussion forum, we would like to invite all Pipeline Pilot users to register to join the Accelrys Community, an online community of users and Accelrys scientists. Relocated from their previous location on yahoo groups, the Pipeline Pilot discussion forums provide an open forum for our customers to engage in discussion of scientific and technical topics; share “best practices” examples with one another; and enjoy easy access to scripts, protocols, and components created by the Pipeline Pilot user community. The Pipeline Pilot discussion forums are also the preferred mechanism for Accelrys to update users on new releases and to ask input on its development plans.
Pipeline Pilot example protocols and scripts from the SciTegic community downloads web page have been updated and likewise migrated to this new online community space, giving you access to a broader range of resources in one place. If you are starting a new project, a working protocol can make a great place to start. The Pipeline Pilot Downloads Library gives you access to hundreds of components and protocols created by the Pipeline Pilot community. Moreover, if you have created components and/or protocols you would like to share with other users, post them at this forum for other users to download.
Register Now >>>
Product News
New Releases of Accord for Excel and Accord for Excel Enterprise
Accord for Excel and its Accord Enterprise Informatics-enabled sister product, Accord for Excel Enterprise, are chemically-enabled spreadsheet applications that you can use for analyzing and reporting on a variety of chemical, biological and discovery data. The most recent releases of both products offer usability improvements and enhancements to make these powerful desktop applications even more useful. New features in the latest 6.2 releases include support for Windows Vista; support for Accelrys' new chemistry editor, Accord Draw; and for Microsoft Office 2007 users, a new interface featuring the Microsoft Office Fluent user interface. Updated support for viewing 3-D data in Excel-based SAR reports through Discovery Studio Visualizer now enables you to assemble spreadsheet reports containing both 2-D and 3-D information so that all of your key data is at hand when conducting lead discovery and optimization studies.
Click for more information on Accord for Excel, including a free trial » and
Accord for Excel Enterprise »
CAP 2007.3 Now Available
This latest release of Accelrys' Chemicals Available for Purchase (CAP) consolidated vendor database offers significant improvements over the previous release. The use of Oracle Transportable Tablespace technology for database installation now dramatically simplifies and shortens implementation times from several days to a couple of hours and has enabled the compound coverage of the database to be substantially increased so that the complete version now contains nearly five million unique screening compounds from 130 vendors. Updated quarterly, CAP enables you to easily locate readily available supplies of reagents and compounds from a wide variety of suppliers. More information >>>
Latest BIOSTER Database Release
BIOSTER is a chemical database that provides you with examples of published bioanalogous molecule pairs selected using the well-known principle of bioisosterism, a proven technique used in the design of bioactive compounds. Version 2007.1 provides you with over 45,000 biologically active molecules, giving you a larger toolbox of beneficial, published structural modifications that you can use to generate and explore ideas in your own lead progression and optimization studies.
More information >>>
Upcoming Conferences
High Throughput in Silico Materials Characterization Techniques using a Data Pipelining Environment.
MRS Fall - Boston, MA - November 26 - 30, 2007
Join us at MRS Fall (booth #425) to see the exciting new functionality available in the recently released, Materials Studio 4.2. While you're there, enter a drawing to win a Garmin hand-held GPS.
Dr. Max Petersen of Accelrys will be giving a talk entitled, "High Throughput in Silico Materials Characterization Techniques using a Data Pipelining Environment" on November 28, in Independence E (Sheraton). In his presentation, Dr. Petersen will introduce a computational approach in which industry accepted modeling tools are implemented within a data pipelining environment. This data pipelining environment, Pipeline Pilot, captures reoccurring workflows in computational research applications. It integrates a variety of applications, streamlining their execution and facilitating their analysis.
Conferences Listings
In the coming months, visit us at the following conferences:
- German Conference on Cheminformatics (Nov. 11-13, Goslar, Germany)
- MRS Fall, Booth #425 (Nov. 26-30, Boston, MA)
- Molecular Modeling 2007 (Nov. 27-30, Victoria Australia)
- 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
Ongoing Training Opportunities Accelrys offers ongoing training in Life Science, Materials Science, Bioinformatics, Cheminformatics and Pipeline Pilot.
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