Virtual Discovery is a Boston based biotech that specializes in providing custom, in silico drug discovery services. Since our founding in 2020, we have focused on optimizing drug discovery via computational methods. We use VirtualFlow (Nature 2020) to conduct some of the largest virtual screens in the world.
We collaborate with academic labs, biotech start-ups, and pharmaceutical companies across the world who are looking to discover new molecules or optimize existing ones.
Services
Target Analysis
Molecular Dynamics (MD) Simulations to study target dynamics
Clustering & Markov State Modeling (MSM)
Hit Identification
Ultra-large virtual screens of the REAL Space & Zinc15
Small-scale docking to verify proof-of-concept
Virtual Screens on custom libraries of any size (from 1000s to millions)
Lead Optimization
Custom analog library creation using classical methods or generative models
High-accuracy virtual screen of this analog library
