Skip to content

SahaLabGitHub/ABFE-Calculations-with-BFEE2-Reveal-How-BTK-Mutations-Disrupt-Inhibitor-Binding

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

52 Commits
 
 
 
 
 
 
 
 
 
 

Repository files navigation

ABFE-Calculations-with-BFEE2-Reveal-How-BTK-Mutations-Disrupt-Inhibitor-Binding

  1. Create the input files with CHARM-GUI
  2. Use BFEE2-GUI to generate the files for simulation
  3. Run the simulation with NAMD3
  4. Use BFEE2-GUI to analyze the results

About

No description, website, or topics provided.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published