2024.02.01.7RPZ_rec_desolv - tbalius/teb_docking_test_sets GitHub Wiki

DOCK 6 tutorial using KRAS in complex with MTRX-1133 (PDB ID 7RPZ)

By Y. Stanley Tan, Mayukh Chakrabarti, and Trent E. Balius

This is a work in progress...

See the Shoichet Lab wiki for how to run DOCK3.7 with GIST:

Software requirements

  • Amber22 and AmberTools23