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. © Springer-Verlag Berlin Heidelberg 2005.
CITATION STYLE
Znamirowski, L. (2005). Non-gradient, sequential algorithm for simulation of nascent polypeptide folding. In Lecture Notes in Computer Science (Vol. 3514, pp. 766–774). Springer Verlag. https://doi.org/10.1007/11428831_95
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