22 citations · 57 across the 4 of their papers we have counts for
4 papers · 1 filter
Alpha helix-coil phase transition: analysis of ab initio theory predictions
Ilia A. Solov'yov, Alexander V. Yakubovich, Andrey V. Solov'yov +1
In the present paper we present results of calculations obtained with the use of the theoretical method described in our preceding paper [1] and perform detail analysis of alpha he…
Ab initio theory of helix-coil phase transition
Alexander V. Yakubovich, Ilia A. Solov'yov, Andrey V. Solov'yov +1
In this paper we suggest a theoretical method based on the statistical mechanics for treating the alpha-helix-random coil transition in alanine polypeptides. We consider this proce…
Two center multipole expansion method: application to macromolecular systems
Ilia A. Solov'yov, Alexander V. Yakubovich, Andrey V. Solov'yov +1
We propose a new theoretical method for the calculation of the interaction energy between macromolecular systems at large distances. The method provides a linear scaling of the com…
Ab initio study of alanine polypeptide chains twisting
Ilia A. Solov'yov, Alexander V. Yakubovitch, Andrey V. Solov'yov +1
We have investigated the potential energy surfaces for alanine chains consisting of three and six amino acids. For these molecules we have calculated potential energy surfaces as a…