%0 Journal Article %A F. V. Grigor'ev %T Calculation of molecular complexation free energy by thermodynamic integration with harmonic restrictions on atomic coordinates %J Numerical methods and programming %D 2012 %P 391-397 %V 13 %N 3 %I mathdoc %U http://geodesic.mathdoc.fr/item/VMP_2012_13_3_a2/ %G ru %F VMP_2012_13_3_a2