ChemNavigator Software Products Now Available on Linux
The following software products are now supported under the popular Linux operating system environment.
3DPL™ - Flexible 3D Search/Docking
CncTranslate™ - Cheminformatics Utility Program
CncMCS™ - Maximum Common Substructure Analysis
CncDiverse™ - Diverse Library Selection
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New Version 3.61 Enhanced 3DPL™ - Flexible 3D Search/Docking Software.
ChemNavigator has released a new version of its 3-Dimensional Protein-Ligand (3DPL) analysis software. 3DPL uses a patented combination of 3D searching and flexible protein-ligand docking techniques to analyze small molecules for potential binding to a protein target. 3DPL operates at speeds up to 15 structures per second.
Key New 3DPL Features:
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Protein Data Bank (PDB) and SD file Support: 3DPL now accepts 3D protein structures in PDB format directly - no conversion into SLN or SDfile format is required. 3DPL also now accepts SDfile format directly as input for small molecule ligands.
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Automatic Ligand Detection and Field Generation: 3DPL will now automatically identify the co-crystallized ligand and generate 3D derivative fields for the protein for 3D search/docking in the ligand region.
- 3D Coordinate Generation: 3DPL can now generate 3D coordinates automatically from 2D SDfile or SLN files as input - pre-calculated 3D coordinates are not required. With this new license option, 3DPL will generate starting 3D coordinates for each ligand. As in previous releases, if your input structures already have 3D coordinates, 3DPL can use them.
To try 3DPL 3D Search/Dock software on Windows™ or Linux, navigate to the ChemNavigator website Product Download page. Download the software and request full evaluation keys for your free evaluation
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New On-line iResearch System Binding Ligands Collection
ChemNavigator has added a new collection containing the chemical structures of small molecules known to bind to thousands of 3D proteins. This new collection is based on information extracted from 3D protein-ligand complexes registered in the Protein Data bank (PDB) under the MSDChem project at the European Molecular Biology Laboratory (EMBL).
If you are not currently a paying subscriber, you can request a free iResearch System content account by contacting us at support@chemnavigator.com.
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iResearch Product Expansion to Cover Starting Materials, Fine Chemicals & Reagents
ChemNavigator seeks to provide its clients the most comprehensive and cost effective chemistry sourcing data and service available in the world. In addition to tracking worldwide screening compound offerings, ChemNavigator also tracks over 300,000 building blocks and over 65,000 research and reagent grade chemical products. We intend to greatly expand our coverage of chemical products in 2006. We will place a heavy focus on expanding our coverage of synthetic starting materials, fine chemicals and reagents.
Whether you are a supplier or purchaser of chemical products, we welcome your input and suggestions as to the classes of chemistry you would find most useful within our iResearch product line. Please contact us with your input at support@chemnavigator.com.
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Supplier Highlight
We would like to welcome AIMS Fine Chemicals Inc. to the iResearch System. AIMS is an ISO 9001 certified company. In addition to over 250 high quality fine chemical products, AIMS provides custom chemistry solutions including new molecule development, lead-optimization, custom synthesis of advanced intermediates through process development, and scale-up for GMP manufacturing of clinical trial materials. Learn more about AIMS Fine Chemicals through its corporate web site at http://www.aimsfc.com
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Academic Access Program Continues to Grow
The Academic Access Program provides free access to ChemNavigator software and database products to qualifying academic researchers for use in noncommercial research projects. We would like to welcome an additional new member:
Dr. Piomelli - University of California, Irvine, Department of Psychiatry
Research in Dr. Piomelli's lab at University of California, Irvine dept. of Psychiatry, is focused on the function of lipid-derived messengers, with particular emphasis on the endogenous cannabinoids anandamide and 2-arachidonylglycerol. Current research efforts converge on three areas: formation and inactivation of anandamide and 2-arachidonylglycerol; physiological roles of the endogenous cannabinoid system; development of therapeutic agents that target anandamide and 2-arachidonylglycerol metabolism. In ChemNavigator's library we will be searching for a compound that can inhibit the hydrolysis of these endocannabinoids.
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