Analysis Tools Repository

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Revision as of 13:27, 7 January 2020 by Jbickel (talk | contribs)
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This is intended to be the one-stop-shop for analysis tools and scripts for the lab.

See below for the intended list of things to be added (LastAdded: 01/07/2020 JDB)

  • MMGBSA - execution and analysis
  • Footprinting with amber
  • Multifootprint with dock
  • Making 2D structures (JMOL, MarvinSketch)
  • Sequence alignments
  • Test set statistics
  • MOE inputs, descriptions, files, scripts?

Using this repository

What is here

How to update this repository


RMSD - Molecular Dynamics


Virtual Screening Protocol