• Non-gradient, sequential algor...

Result: Non-gradient, sequential algorithm for simulation of nascent polypeptide folding

Title:
Non-gradient, sequential algorithm for simulation of nascent polypeptide folding
Authors:
ZNAMIROWSKI, Lech
Source:
Computational science (Atlanta GA, 22-25 May 2005)Lecture notes in computer science. :766-774
Publisher Information:
Berlin: Springer, 2005.
Publication Year:
2005
Physical Description:
print, 29 ref 3
Original Material:
INIST-CNRS
Subject Terms:
Computer science, Informatique, Sciences exactes et technologie, Exact sciences and technology, Sciences appliquees, Applied sciences, Informatique; automatique theorique; systemes, Computer science; control theory; systems, Informatique théorique, Theoretical computing, Algorithmique. Calculabilité. Arithmétique ordinateur, Algorithmics. Computability. Computer arithmetics, Algorithme recherche, Search algorithm, Algoritmo búsqueda, Condition initiale, Initial condition, Condición inicial, Conformation, Conformación, Gradient, Gradiente, Minimisation, Minimization, Minimización, Polypeptide, Polipéptido, Protéine, Protein, Proteína
Document Type:
Conference Conference Paper
File Description:
text
Language:
English
Author Affiliations:
Institute of Informatics, Silesian University of Technology, ul. Akademicka 16, 44-100 Gliwice, Poland
ISSN:
0302-9743
Access URL:
http://pascal-francis.inist.fr/vibad/index.php?action=search&terms=16991925
Rights:
Copyright 2005 INIST-CNRS
CC BY 4.0
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
Notes:
Computer science; theoretical automation; systems
Accession Number:
edscal.16991925
Database:
PASCAL Archive

Further Information

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}/{Pexisting 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.