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Molecular Dynamics and Free Energy Perturbation Platform

Molecular Dynamics and Free Energy Perturbation Platform

The Medvolt Drug Repurposing Platform (DRP) is an advanced computational tool designed to identify new uses for existing drugs through molecular dynamics (MD) simulations.

Developed using AWS Elastic Beanstalk, Docker, RDS, S3, AWS Batch, FastAPI, and DocumentDB, it leverages AI and data-driven approaches for drug repositioning. The platform consolidates data, performs docking of FDA-approved drugs, and uses reverse docking for target identification. The advanced MD simulations refine drug-target interactions, significantly enhancing the accuracy and speed of drug discovery.