… Another approach that has received considerable attention in the last years is the linear
interaction energy (LIE) method.9 This method is also based on conformational sampling by MD …

… In this article, we use the NCSM to predict spectra and binding energies for 7Li. These results
will be presented along with calculations for the s-shell states for 3H and 4He, which were …

… based on the physical contributions to the interaction, and should therefore be more universal
and transferable than knowledge-based … evaluating the electrostatic free energy of just one …

… Therefore, the fact that the orientation with the best interaction energy, predicted by our
model for DES, E2, and THC, matches those found in the crystal structures of ERα LBD …

… The only term representing polar interactions in this scoring function is a simple hydrogen …
In conclusion, the standard parametrization of eq 1 can predict the binding free energies of the …

… The complete list of the EFP interaction energies for the S22 … Because the average interaction
energies of HB, dispersion-… value of the average interaction energies that provides an easy …

… approach, based on the energy of non-local interactions, … prediction. The correct conformation
of a loop may have a high local interaction energy, and a technique based on local energy …

… interaction energies is unambiguous. We will not discuss configuration interaction methods
… electron) CCSD(T) method predicts the bond energies to an accuracy of better than 1 kcal/…

… Strong interactions between protons and neu-trons result in the formation ofatomic nuclei.
Much weaker interactions between … Weak interactions have been traditionally associated with …

… Thus by calculating the contribution of a mutation to the electrostatic energy of interaction,
we can predict the degree to which this change will increase or decrease the rate of …