Journal of the American Chemical Society, Vol.118, No.44, 10940-10941, 1996
Quantum-Mechanical Study of Aqueous Polarization Effects on Biological Macromolecules
Keywords:ELECTRONIC-STRUCTURE CALCULATIONS;DENSITY-FUNCTIONAL CALCULATIONS;SYSTEM-SIZE;ARBITRARY SHAPE;LARGE MOLECULES;NUCLEIC-ACIDS;FORCE-FIELD;FREE-ENERGY;SOLVATION;SOLVENT