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@talagayev talagayev released this 15 May 09:59
· 45 commits to main since this release
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7b17ee3
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Learn about vigilant mode.

First OpenMMDL release contains:

  • OpenMMDL Setup: web page for setting up protein-ligand OpenMM MD simulations
  • OpenMMDL Simulation: script for MD Simulation performance with further postprocessing
  • OpenMMDL Analysis: Analysis of protein ligand interactions during the simulation with interaction fingerprint generation and display of the interactions and most prominent binding modes.

VT

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