Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
It is more challenging to rehydrate Site 1-2 (red, blue) than Site 3-4 (green, magenta) in BLUES simulations of (A) the HSP90 system (PDB: 3RLP). Bar graphs show the water occupancy of target sites in a single (B) BLUES simulation (all ordered water molecules were retained prior to simulations), (C-D) BLUES simulations (all ordered water molecules were removed prior to simulations).
