Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding

2004 ◽  
Vol 2004 (2) ◽  
pp. 193-195 ◽  
Author(s):  
Ram U. Verma

A new notion of the A-monotonicity is introduced, which generalizes the H-monotonicity. Since the A-monotonicity originates from hemivariational inequalities, and hemivariational inequalities are connected with nonconvex energy functions, it turns out to be a useful tool proving the existence of solutions of nonconvex constrained problems as well.


Author(s):  
Peter G. Wolynes

Energy–landscape theory has led to much progress in protein folding kinetics, protein structure prediction and protein design. Funnel landscapes describe protein folding and binding and explain how protein topology determines kinetics. Landscape–optimized energy functions based on bioinformatic input have been used to correctly predict low–resolution protein structures and also to design novel proteins automatically.


Biopolymers ◽  
2004 ◽  
Vol 74 (3) ◽  
pp. 214-220 ◽  
Author(s):  
Jianyong Wang ◽  
Gordon M. Crippen

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