3decision®
The single source of truth for all your 3D protein structures
Store, analyze and share 3D protein structures and associated data in a single collaborative platform
Discngine 3decision® is a cloud-based protein structure repository for comprehensive structural data management and advanced analytics.
It allows the small molecule and biologics discovery teams to store, analyze, and share 3D structural data in a single platform to accelerate structure-based drug design.
Release the Full Potential of Your 3D Biomolecular Structures with 3decision®
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3decision® centralizes and standardizes both experimental and in-silico protein structures from public – e.g. RCSB PDB, AlphaFoldDB - and proprietary sources. The structure registration process is mmCIF – centric, supporting the PDBx/mmCIF format, including ModelCIFs. This comprehensive repository ensures that all structures, whether X-Ray, NMR, cryo-EM or models, are easily accessible and well-organized, supporting the entire drug discovery team in their research efforts.
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Beyond just storing structures, 3decision® enriches each entry with detailed metadata and sequence information. This includes information on pockets, protein-ligand interactions, antibody annotations, electron density maps and other crucial project data. By linking these diverse types of information, 3decision® transforms into a robust structural knowledge database, facilitating deeper insights and more efficient data utilization from a single platform.
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3decision® has advanced analytical tools to identify druggable sites, assess off-target risks, and inspire new drug designs. The software analyses each structure upon registration, detecting all putative and known binding sites on the protein surface, indexing pharmacophoric features, and enabling sophisticated analyses such as binding site comparisons. The platform’s organization of data and analytics features converts massive amounts of structural information into useful knowledge, driving decision-making in drug discovery projects.
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3decision® is designed to foster collaboration across different teams and locations through its cloud-based platform. The web-based UI enables to easily share insights and structural data, so project teams can seamlessly communicate and coordinate efforts in structure-guided drug design. Experts can expose complex data in an easily accessible way to non-experts, ensuring that everyone can visualize and analyze 3D structures effectively. The data in the platform are organized in projects with different levels of accessibility, allowing easier navigation and controlled data access.
On-the-fly superposition of 3D structures
Structure information panel
Cryo-EM map
Structural annotations
Antibody annotations
Protein-ligand interaction search
Ligand tab and sketcher
MTZ map display
Subpocket search
Facilitate drug design process with unique structural insights
Comprehensive structural knowledge
Centralize all your 3D protein structures and metadata - public and private - into a single platform. Transform structural data into useful knowledge to get meaningful insights for drug discovery projects.
Unified and Secure data
Store your data securely and efficiently with ISO27001-certified cloud hosting. Manage data access through tailored permissions and user groups. Leverage the robust backend of 3decision in other software and workflows through seamless API integrations.
Collaborative decision-making
Provide quick access to all your 3D structures and analysis to the design team to make meaningful collaborative decisions in the discovery of both small molecules and biologics.
Some testimonials about 3decision®️
“We were sitting on these almost 9,000 structures, and except for 2-3 people, nobody else knew where they were.”
- Rishi Gupta, Senior Research Scientist at Abbvie
“The 3decision® site has become a key stopping point for our scientists who design compounds, analyze and share protein structures, and retrieve external and internal protein x-ray and NMR structures.”
- Research Fellow, Discovery Chemistry at Abbvie
Insight documents
[WHITEPAPER]
3D proteins structures: How to uncover their true potential to drive drug discovery
[CASE STUDY]
How accurate are antibody-antigen AF3-predicted complexes?
PD-1 case study
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