BioSolveIT SeeSAR 13.1.0

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BioSolveIT SeeSAR 13.1.0

File Size: 133 MB

The Team BioSolveIT are proud to announce the next major version of SeeSAR 13.1.0 named 'Midas'. This interactive tool allows drug designers to work with molecules interactively, for example, by docking ligands into the active sites of proteins to optimize hits.


BioSolveIT SeeSAR allows drug designers to work with molecules interactively, for example, by docking ligands into the active sites of proteins to optimize hits. This interactive tool has been conceived to be easy to use, and will assist you in calculating physico-chemical properties, affinity estimations, and on-the-fly editing and hypothesis testing. You will learn how to optimize the tightness of fit and create meaningful graphics.
In this BioSolveIT workshop, we embark on a journey into the world of the drug discovery dashboard SeeSAR: A cutting-edge tool that has undergone a remarkable power gain over the years. During this workshop, we will offer a comprehensive introduction to its various operational "modes". Modes, pleasingly designed, cover a wide array of tasks such as molecule editing, docking, and target-ligand complex assessment. Additionally to the structure-based methods, we will discuss how SeeSAR can facilitate ligand-based drug discovery (LBDD). The webinar represents a perfect opportunity for beginners to learn basic operations and gain insights into computer-aided drug discovery (CADD) with state-of-the-art software.
BioSolveIT is custom scientific software development company for virtual screening and lead discovery offers tools, services, and research collaborations. BioSolveIT provides world-renowned software products within the areas of ligand and structure-based drug design and is the pioneer of computational fragment-based ligand design. With a stellar scientific advisory board and founders from academia who intensely collaborate with pharma, BioSolveIT catalyzes products off of university research successes with proven pharmaceutical industry application.
General Info
Owner: BioSolveIT
Product Name: SeeSAR
Version: 13.1.0
Supported Architectures: x64
Languages Supported: English
System Requirements: Windows *
Size: 132.7 MB
What's New
SeeSAR 'Midas' version 13 was developed to be used as a powerful but user-friendly tool for the generation of goal-oriented results - with a single click! The novel ideation engine is called 'MedChemesis': a ligand mutation tool to create a series of close analogs to a query compound based on common medicinal chemistry reactions. MedChemesis can be accessed in the Inspirator Mode to sample the proximal chemical space around a compound for promising modifications (e.g., bioisosteric replacement of a carboxylic acid for a tetrazole group, introduction of a halogen or methyl group to increase potency, or replacement of a carbon for a nitrogen atom inside an aromatic ring system). With a total of 290 most common medicinal chemistry transformations, MedChemesis explores a plethora of analogs guided by binding site topology in the most efficient way - without the need of full enumeration of all possibilities. Alongside several quality-of-life software improvements, another great feature has been added to augment the on-screen design experience: Users can now visualize the target/protein surface. Several coloring and visualization options (based on lipophilicity, chain colors, opaque/transparent, .) are available to create meaningful figures based on your needs. The features does not end there: All 3D surface representations can be exported via SeeSAR glb file export to be used in presentations to visually transfer the core messages of your science!

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Homepage:
www.biosolveit.de

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