Assertion: amber's energy | /r/HasProperty | calculated
Facets:
value: by solving the linearised poisson boltzman
type: MANNER
Source sentences:
text: Solvation free energies are calculated by either solving the linearised Poisson Boltzman or Generalized Born equation for each of the three states (this gives the electrostatic contribution to the solvation free energy) and adding an empirical term for hydrophobic contributions: delta-G vacuum is obtained by calculating the average interaction energy between receptor and ligand and taking the entropy change upon binding into account if necessary/desired: The entropy contribution can be found by performing normal mode analysis on the three species but in practice entropy contributions can be neglected if only a comparison of states of similar entropy is desired such as two ligands binding to the same protein.