Azore CFD
Azore is software for computational fluid dynamics. It analyzes fluid flow and heat transfers. CFD allows engineers and scientists to analyze a wide range of fluid mechanics problems, thermal and chemical problems numerically using a computer. Azore can simulate a wide range of fluid dynamics situations, including air, liquids, gases, and particulate-laden flow. Azore is commonly used to model the flow of liquids through a piping or evaluate water velocity profiles around submerged items. Azore can also analyze the flow of gases or air, such as simulating ambient air velocity profiles as they pass around buildings, or investigating the flow, heat transfer, and mechanical equipment inside a room. Azore CFD is able to simulate virtually any incompressible fluid flow model. This includes problems involving conjugate heat transfer, species transport, and steady-state or transient fluid flows.
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Highcharts
Highcharts, a Javascript-based charting library, makes it easy to add interactive charts and graphs to web or mobile projects of any size.
Highcharts is used by more than 80% of the 100 biggest companies in the world, as well as thousands of developers from a variety of industries, including finance, publishing, application development, and data science.
Highcharts is in active development since 2009. It remains a favorite among developers due to its robust feature set and ease-of-use documentation, accessibility features and vibrant community.
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AutoDock
AutoDock is a comprehensive suite comprising automated docking tools that aim to forecast the binding interactions of small molecules, like substrates or potential drugs, with a receptor that has a known three-dimensional structure. Over time, this toolset has undergone various modifications and enhancements to introduce new features, alongside the development of multiple computational engines. The software currently includes two main versions: AutoDock 4 and AutoDock Vina, each serving distinct purposes. Recently, the introduction of AutoDock-GPU has provided a significantly accelerated alternative to AutoDock4, achieving docking speeds that are remarkably hundreds of times faster than the original single-CPU version. AutoDock 4 is fundamentally made up of two core components: autodock, which executes the docking of the ligand onto a series of grids that represent the target protein, and autogrid, which is responsible for generating these grids ahead of time. These atomic affinity grids are not just useful for docking purposes; they can also be visualized to aid researchers, particularly organic synthetic chemists, in crafting more effective binding agents. This visualization capability can help streamline the process of drug design significantly.
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3decision
3decision® serves as a cloud-based repository for protein structures, focusing on efficient management of structural data and offering sophisticated analytics to support teams involved in the discovery of small molecules and biologics, thereby expediting the process of structure-based drug design.
The platform consolidates and standardizes both experimental and computational protein structures sourced from publicly available databases such as RCSB PDB and AlphaFoldDB, in addition to proprietary datasets, and accommodates formats like PDBx/mmCIF and ModelCIF. This comprehensive approach guarantees seamless access to a variety of structural formats including X-Ray, NMR, cryo-EM, and modeled structures, thereby promoting collaboration and bolstering research initiatives.
In addition to its storage capabilities, 3decision® enhances each entry with valuable metadata and sequence information, which encompasses details on protein-ligand interactions, antibody annotations, and specifics about binding sites. Equipped with advanced analytical instruments, the platform is capable of pinpointing druggable sites, evaluating off-target risks, and facilitating comparisons of binding sites, which collectively transform extensive structural datasets into practical insights that can drive research forward.
Furthermore, its cloud-based architecture fosters enhanced collaboration among research teams, making it easier for scientists to share findings and insights, ultimately leading to more innovative approaches in drug discovery and development.
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