@article{VMP_2012_13_3_a2, author = {F. V. Grigor'ev}, title = {Calculation of molecular complexation free energy by thermodynamic integration with harmonic restrictions on atomic coordinates}, journal = {Numerical methods and programming}, pages = {391--397}, publisher = {mathdoc}, volume = {13}, number = {3}, year = {2012}, language = {ru}, url = {http://geodesic.mathdoc.fr/item/VMP_2012_13_3_a2/} }