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© Structural Dynamics Of Macromolecules
The structure of a bacterial analog of the nicotinic receptor (one color per subunit) inserted into the cell membrane (grey and orange). A representation of the volume accessible to ions is shown in yellow.
Publication : Curr Opin Struct Biol.

Mean-field minimization methods for biological macromolecules.

Team: Architecture and Dynamics of Biological Macromolecules
Member: Marc Delarue
Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Curr Opin Struct Biol. - 01 Apr 1996

Koehl P, Delarue M.

Link to Pubmed [PMID] – 8728655

Link to HAL – Click here

Link to DOI – 10.1016/s0959-440x(96)80078-9

Curr Opin Struct Biol. 1996 Apr;6(2):222-6. Review.

Simulations of macromolecular structures involve the minimization of a potential-energy function that presents many local minima. Mean-field theory provides a tool that enables us to escape these minima, by enhancing sampling in conformational space. The number of applications of this technique has increased significantly over the past year, enabling problems with protein-homology modelling and inverted protein structure prediction to be solved.