Computational Science – ICCS 2005, 5th International Conference, Proceedings, Part I, LNCS 3514
Publisher
Springer-Verlag
Conference Location
Berlin Heildelberg
Abstract
In the paper, the method for determining of the conformation of nascent protein folding based on two-phase, sequential simulation approach is presented. In both phases the potential energy of molecule under construction is minimized, however in the first phase the minimization is performed for the structure {new amino acid}/{existing amino acid chain} and in the second phase, the {new existing amino acid chain} conformation is “tuned” to reach the minimal potential energy of growing chain. The formed, nascent conformation of protein determines initial condition for a future conformation modifications and plays a crucial role in fixing the biological and chemical features of created protein. The simulation of conformation process is illustrated through the numerical example of nascent protein folding for a selected protein.
Historia zmian
Data aktualizacji: 18/02/2016 - 15:10; autor zmian: Piotr Gawron (gawron@iitis.pl)
