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Cresset Announces New Version of its Computational Chemistry Workbench forgeV10

Cresset
25 Mar 2013

Product news

Cresset, innovative provider of chemistry software and services, announces the release of a new version of its computational chemistry workbench forgeV10. This release is the first major update following the launch of forgeV10 in 2012 and brings new features and many improvements.

New in forgeV10.1 are:
• Flexible handling of multiple reference molecules giving improved results during analysis of structure activity relationships.
• Enhanced capabilities for viewing molecules in 3D.
• Ability to download protein crystal structure files and rapidly split them into protein and ligand.

“forgeV10 has been an instant hit with our customers. They use it for gaining deep insights into structure activity relationships, for virtual screening on desktop hardware and to develop detailed pharmacophores for the design of compounds and compound libraries,” says Dr Tim Cheeseright, Cresset’s Director of Products.

He adds, “We have had many customer requests for new features, particularly for more control over how molecules are compared. We have listened carefully to our customers and are proud to introduce significant scientific enhancements in forgeV10.1, as well as streamlining the design of new compounds and interpretation of complex SAR.”

Click here to download free demo.

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High-Throughput ScreeningHigh-throughput screening (HTS) is an automated drug discovery technique for identification of active compounds against a compound library. Use HTS readers and integrated assay preparation / analysis workstations to screen your compounds. Identify active compounds against various HTS libraries, including membranes, proteins and peptides and HTS cell lines. Find the best high-throughput screening products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Chem / BioinformaticsCheminformatics and bioinformatics are computational techniques used in chemistry and biology, respectively, for data acquisition, processing and storage. Cheminformatics focuses on compound information, whereas bioinformatics is mainly applied to analysis and modeling of genomics, genetic and sequencing information. Hardware and software is available for data acquisition, analysis, management and storage.Compound LibrariesCompound libraries, or chemical libraries, are used in drug discovery for the identification of potential therapeutics compounds. Used in conjunction with high-throughput screening, the libraries of stored compounds are often generated for specific purposes as a drug target or disease model. Cheminformatics are commonly used when designing a compound library and software can be used to analyze the screening process.  Protein CrystallographyProtein crystallization is the process of crystallizing purified proteins for 3D structure analysis by x-ray crystallography. The main methods of protein crystallization include sitting drop, hanging drop and microbatch. It is important to control parameters such as pH, temperature and concentration. Following crystallization, detectors and software are used for data collection and analysis.Protein BiologyThe analysis of protein expression, identity and function is vital for many areas of life science research and drug discovery. Some of the most commonly used techniques in protein analysis include Western blotting, electrophoresis and mass spectrometry.Protein InteractionsProtein interactions are essential for understanding cellular processes, as proteins work together to carry out biological functions. Studying protein interactions can provide insights into disease mechanisms, drug development, and cell signaling pathways. Explore the best tools for protein interaction research in our peer-reviewed product directory; compare products, check reviews, and get pricing directly from manufacturers.Structural BiologyCompound ScreeningCompound screening is a method used to discover specific compounds that could be promising candidates for pharmaceutical use. This potential is identified when compounds interact with the target protein during screening and could therefore be carried forward in the drug development process.

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Cresset Announces New Version of its Computational Chemistry Workbench forgeV10