Discrete Nonlinear Schrodinger Equation, Solitons and Organizing Principles for Protein Folding
Lab. de Math. et Phys. Théorique (LMPT), Université de Tours
Lundi 24/01/2011, 14:00
Salle Claude Itzykson, Bât. 774, Orme des Merisiers
We introduce a novel generalization of the discrete nonlinear Schrodinger equation that supports solitons that can describe how proteins are folded. As an example we scrutinize the villin headpiece HP35, an archetypal protein for testing both experimental and theoretical approaches to protein folding. Using its protein backbone as a template we explicitely construct two solitons that model over 7.000 secondary superstructures in the Protein Data Bank with an atomary level accuracy of 1.0 Angstrom or less.