3decisionDiscngine
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About
3decision® is a cloud-based protein structure repository designed for comprehensive structural data management and advanced analytics, enabling small molecule and biologics discovery teams to accelerate structure-based drug design.
It centralizes and standardizes experimental and in-silico protein structures from public sources like RCSB PDB and AlphaFoldDB, as well as proprietary data, supporting formats like PDBx/mmCIF and ModelCIF. This ensures easy access to X-Ray, NMR, cryo-EM, and modeled structures, fostering collaboration and enhancing research efforts.
Beyond storage, 3decision® enriches entries with metadata and sequence information, including protein-ligand interactions, antibody annotations, and binding site details. Advanced analytical tools identify druggable sites, assess off-target risks, and enable binding site comparisons, transforming vast structural data into actionable knowledge.
Its cloud-based platform facilitates collaboration among research teams.
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About
VeraChem LLC was founded in 2000 to advance the state of the art in computer-aided drug discovery and molecular design by developing computational chemistry methods that are based on cutting-edge basic science but are also applicable in applied science research settings. Efficient high-performance software implementations of these methods coupled with comprehensive user support are a central company strategy for product development. Current VeraChem software capabilities include protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with all the commonly used empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork algorithm, and automatic detection of topological and 3D molecular symmetries. VeraChem’s software packages are constructed from a modular code base.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Structure-based drug discovery research teams, Medicinal chemists, Structural biologists, computational chemists, Pharmaceutical, Biotech, CRO
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Audience
Labs seeking a drug discovery solution for protein-ligand and host-guest binding affinity prediction
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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Screenshots and VideosNo images available
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Pricing
No information available.
Free Version
Free Trial
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Pricing
No information available.
Free Version
Free Trial
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Reviews/
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationDiscngine
Founded: 2004
France
www.discngine.com
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Company InformationVeraChem
United States
www.verachem.com/small-molecules/
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Integrations
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Integrations
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