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.
Charge-symmetric dielectric boundary used in CHA–GB for multi-atom solutes. The schematic inset shows the key construction steps. Each atomic radius (ρi, red circle) is increased (purple area) by the same correction Rs = 0.52 Å. The dielectric surface (blue line) is outlined by rolling a probe of radius ρw – Rs. The smaller than the standard ρw = 1.4 Å probe ensures invariance of the solvent accessible surface around the solute.
