@inproceedings{bibcite_15159, author = {Lech Znamirowski and V.S. Sunderam}, title = {Non-gradient, Sequential Algorithm for Simulation of Nascent Polypeptide Folding}, 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 {\textquotedblleft}tuned{\textquotedblright} 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.}, year = {2005}, journal = {Computational Science {\textendash} ICCS 2005, 5th International Conference, Proceedings, Part I, LNCS 3514}, pages = {766{\textendash}774}, publisher = {Springer-Verlag}, address = {Berlin Heildelberg}, note = {ISBN 3-540-26032-3}, language = {eng}, }