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Exploring Gromacs in the Cloud

UberCloud Compendium of Case Studies

For this UberCloud Compendium, Exploring GROMACS in the Cloud, we have selected 2 case studies from the Life Sciences, dealing with GROMACS molecular dynamics simulations.


In this compendium, you will read the results of the two research teams, their applications, findings, challenges, lessons learned, and recommendations.


Case Studies inclued in this compendium:


Team 61: Molecular Dynamics of the Mutant PI3Kα Protein

Team 89: Performance Analysis of GROMACS Molecular Dynamics for Simulating Enzyme Substrate


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