Testing new core22 release v0.0.6, which provides the ability to roll out extremely large scale relative binding free energy calculations in support of the COVID Moonshot.
You can read more about how the COVID Moonshot came amount in thie Folding@home blog post. or watch this recording of a talk we recently gave (hosted by BioSolveIT).
List of Contributors
This project is managed by Dr. John Chodera at Memorial Sloan Kettering Cancer Center.
The Chodera lab combines expertise in theory, computation, and automated biophysical experiments to transform physics-based simulations into predictive models of drug binding, dynamics, and selectivity for the design of anticancer therapeutics.
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