The Ultimate Speed Limit to Protein Folding Is Conformational Searching

2007 ◽  
Vol 129 (39) ◽  
pp. 11920-11927 ◽  
Author(s):  
Kingshuk Ghosh ◽  
S. Banu Ozkan ◽  
Ken A. Dill
2011 ◽  
Vol 108 (40) ◽  
pp. 16622-16627 ◽  
Author(s):  
M. M. Lin ◽  
O. F. Mohammed ◽  
G. S. Jas ◽  
A. H. Zewail

1999 ◽  
Vol 96 (17) ◽  
pp. 9597-9601 ◽  
Author(s):  
O. Bieri ◽  
J. Wirz ◽  
B. Hellrung ◽  
M. Schutkowski ◽  
M. Drewello ◽  
...  

1996 ◽  
Vol 93 (21) ◽  
pp. 11426-11427 ◽  
Author(s):  
J. A. McCammon
Keyword(s):  

2009 ◽  
Vol 6 (7) ◽  
pp. 515-519 ◽  
Author(s):  
Charles Dumont ◽  
Tryggvi Emilsson ◽  
Martin Gruebele
Keyword(s):  

2006 ◽  
Vol 16 (05n06) ◽  
pp. 513-532 ◽  
Author(s):  
MING ZHANG ◽  
LIQUN WANG ◽  
RONALD GOLDMAN

Conformational searching is a core task in inverse molecular kinematics. Algorithmic improvements affecting either the speed or quality of conformational searching will have a profound impact on applications including ligand-receptor docking, ab initio prediction of protein structure, and protein folding. In this paper, we investigate a specific geometry-constrained conformational searching problem, where some feature atoms have pre-specified target positions. Using Bézier subdivision, we present a method to locate and approximate the solutions of the equations derived from constraints on the feature atoms. The conformations corresponding to these solutions are all the conformations satisfying the target constraints. Three implementations of the subdivision method taking advantage of the sparsity of the coefficients of the polynomial equations are presented and the results are compared and contrasted.


2004 ◽  
Vol 14 (1) ◽  
pp. 76-88 ◽  
Author(s):  
Jan Kubelka ◽  
James Hofrichter ◽  
William A Eaton
Keyword(s):  

Sign in / Sign up

Export Citation Format

Share Document