Revolutionizing drug discovery
Virtual Discovery is a Massachusetts-based biotech company that utilizes advanced computational methods to provide quality in silico drug discovery services.
We strive to support pharmaceutical and biotech companies in discovering new therapeutics using our methods.
WHAT WE OFFER
We discover potent hit and lead compounds using ultra-large virtual screenings (on the order of billions of small molecules)
We optimize hit and lead compounds by screening hundreds of thousands of analogs against a specific target
Molecular Dynamics (MD) Simulations to study target dynamics
MD Simulations to identify cryptic pockets
Clustering and Markov State Modeling (MSM)
Ultra-large virtual screens (60B+ cpds)
Virtual screens of libraries of any size (1000s to millions)
Options for multiple docking programs
Individualized optimization for your target
Lead Optimization and Analysis
Creation of a custom analog library of the most similar compounds
High-accuracy virtual screening of the analog library
MD simulations to study the binding mode and affinity of individual compounds
We use VirtualFlow (Nature 2020) to carry out the largest virtual screens in the world. We are able to screen against a variety of compound libraries—including an expanded version of the Enamine REAL Space, which contains over 69 Billion compounds.
Because we can explore such a vast chemical space far more thoroughly than traditional methods, we produce hits with better binding affinity and other ADMET related properties.