Skip to content

Latest commit

 

History

History
6 lines (4 loc) · 321 Bytes

README.md

File metadata and controls

6 lines (4 loc) · 321 Bytes

GCNCMC_GCMC_paper

Supporting information for the paper on using GCMC and GCNCMC for buried water rehydration upon ligand binding

  • input/: input files for GCMC and GCNCMC simulations
  • figures/: calculated (blue) and experimental (white) electron density maps for GCMC and GCNCMC simulations