Virtual Discovery is a Boston-based biotech that utilizes advanced computational methods to accelerate molecule discovery. We provide in silico research services like ultra-large virtual screens, de novo molecule generation, and more to help our clients discover molecules.

Our team has expertise in computational chemistry, AI/ML, and quantum computing to increase discovery success. Book a complimentary consultation today to learn how we can support your goals: https://calendar.app.google/AYn4MZ3tTFEAxC9Y8

What are some of our services?
Hit Generation: We use docking and AI/ML to run structure-based virtual screens of various sizes. Whether you are screening a custom library of 10,000s of molecules or exploring the billions of molecules in the Enamine REAL Space, we can efficiently navigate these chemical spaces. We have run successful screens against several challenging targets, including ion channels and protein-protein interactions.

Lead Optimization: We provide classical custom analog generation and de novo molecule creation using generative models to help our clients generate new molecules from a few promising leads. 

Target Exploration: MD Simulations to understand your target's dynamics.

Integration: As the leading experts in VirtualFlow, we can support technical teams with seamless integration of this software into their existing platforms. We also advise on in silico drug discovery approaches.

What cutting-edge approaches are we working on?
Our team works with world-leading researchers who apply AI/ML and quantum computing to drug discovery. We provide quantum-hybrid machine learning services for quantum drug discovery. We also offer inverse screening to explore the proteome.   

We are excited to make your molecule-discovery process faster, scalable, and more precise. Please feel free to contact us with any questions or requests: https://www.virtualdiscovery.net/ 

Virtual Discovery, Inc

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Virtual Discovery, Inc

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