Skip to content

meetU-MasterStudents/2022--2023-Heidelberg-Team-1

Repository files navigation

2022--2023-Heidelberg-Team-1

Team members:

  • Anastasiya Vladimirova
  • Wangjun Hu
  • Duc Thien Bui
  • Darius Szablowski

Tools used in our pipeline:

Binding Pocket prediction:

Toxicology prediction:

  • eToxPred

Docking Tools:

  • AutoDock Vina
  • EnzyDock
  • Schrödinger suite
    • Glide

MD-simulations

  • Gromacs

Ligand Optimization:

  • AutoGrow 4

About

No description, website, or topics provided.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published