TY - CPAPER
AU - Lech Znamirowski
AU - V.S. Sunderam
AB - 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.
BT - Computational Science – ICCS 2005, 5th International Conference, Proceedings, Part I, LNCS 3514
CY - Berlin Heildelberg
LA - eng
N1 - ISBN 3-540-26032-3
N2 - 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.
PB - Springer-Verlag
PP - Berlin Heildelberg
PY - 2005
EP - 766–774
T2 - Computational Science – ICCS 2005, 5th International Conference, Proceedings, Part I, LNCS 3514
TI - Non-gradient, Sequential Algorithm for Simulation of Nascent Polypeptide Folding
ER -