Protein Modeling and Analysis [Discovery Studio]
Introducing the features of the app "BIOVIA Discovery Studio" Simulation on the cloud platform!
The three-dimensional structure of proteins is closely related to their physiological functions. "BIOVIA Discovery Studio" can elucidate this structure through homology modeling, which determines the three-dimensional structure from the amino acid sequence of the protein, and AI-assisted functions using AlphaFold and OpenFold. Additionally, molecular simulations are useful for analyzing non-covalent interactions between target proteins and drug molecules, binding stability, structural changes, and solvation. "BIOVIA Discovery Studio" also enables rapid static analysis of protein complexes using sophisticated computational methods such as molecular docking simulations. By combining molecular simulations with protein structure prediction, it is possible to accurately analyze the mechanisms of action of proteins. ◎Trial "BIOVIA Discovery Studio" offers a trial period. For more details, please feel free to contact us through the "Contact Us via Web" link below.
basic information
【Features】 ■ Support for a wide range of drug discovery modalities - In addition to the currently mainstream small molecule drugs (small molecule ligands), there are numerous specialized tools for biopharmaceuticals (mAbs, ADCs, bispecific antibodies, multispecific antibodies, fusion proteins, mRNA vaccines) that are actively being researched and developed. ■ Support for a wide range of drug design methodologies - Various methods such as structure-based design, ligand-based design, fragment-based design, and de novo design can be utilized individually or in combination, allowing for 3D design of lead compounds across various scenarios with differing target structures and numbers of known active substances. ■ Support for a wide range of drug discovery phases - A useful set of tools and workflows is provided simultaneously for various situations such as target validation, large-scale virtual screening, lead identification, mechanism of action elucidation, ADME-Tox prediction, stability prediction, and lead optimization. *For more details, please refer to the related links or feel free to contact us.
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Applications/Examples of results
【Applications (Partial)】 ■ Polymer modeling ■ Small molecule modeling ■ General-purpose molecular simulation ■ Analysis of receptor-ligand interactions *For more details, please refer to the related links or feel free to contact us.
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