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s_mmpbsa 0.6.3
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@supernova4869 supernova4869 released this 17 Oct 14:03
· 61 commits to master since this release
v0.6.3
af97710

A new version of s_mmpbsa, supports:

  • Binding energy calculation of MD simulation
  • Molecular docking results rescoring
  • Alanine scanning of protein-ligand complex
Assets 3
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