Tikhonov D A, Polozov R V, Gorelov A V, Timoshenko E G, Kuznetsov Iu A, Panchenko L A, Dawson K A
Biofizika. 1997 Sep-Oct;42(5):1054-65.
An efficient numerical algorithm for solving integral equations of the theory of liquid in the RISM approximation for infinitely diluted solution of macromolecules with a large number of atoms is proposed. The algorithm is based on applying the non-stationary interactive methods for solving systems of linear algebraic equations. Using this technique we have calculated the solvent-solute atom-atom correlation functions for short fragment of DNA duplex of varying length in aqueous solution.
