title: Predicting protein folding pathways.
abstract: A structured folding pathway, which is a time ordered sequence of folding events, plays an important role in the protein folding process and hence, in the conformational search. Pathway prediction, thus gives more insight into the folding process and is a valuable guiding tool to search the conformation space. In this paper, we propose a novel 'unfolding' approach to predict the folding pathway. We apply graph-based methods on a weighted secondary structure graph of a protein to predict the sequence of unfolding events. When viewed in reverse this yields the folding pathway. We demonstrate the success of our approach on several proteins whose pathway is partially known.
authors.affiliation: Department of Computer Science, Rensselaer Polytechnic Institute, Troy, NY 12180, USA. zaki@cs.rpi.edu
authors.forename: Mohammed J
authors.initials: MJ
authors.lastname: Zaki
authors.forename: Vinay
authors.initials: V
authors.lastname: Nadimpally
authors.forename: Deb
authors.initials: D
authors.lastname: Bardhan
authors.forename: Chris
authors.initials: C
authors.lastname: Bystroff
mesh_terms: D000595:Amino Acid Sequence; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D011487:Protein Conformation; D017510:Protein Folding; D011506:Proteins / Q000737:chemistry* / Q000648:ultrastructure*; D020539:Sequence Analysis, Protein / Q000379:methods*
chemical_list: D011506:Proteins