https://azd8055inhibitor.com/m....ain-removes-involvin
In this work, the endpoints DFT equations are formulated with regards to the indirect (solvent-mediated) contribution ω(x) into the solute-solvent potential of mean force, and their contacts are set up using the old-fashioned DFT expressions that are based on the usage of direct correlation features. ω really corresponds into the free-energy expense to move a cavity particle (a tagged solvent molecule which interacts utilizing the other solvent molecules yet not the solute) from the bulk to the setup x
Like
Comment
Share
