Mean-field minimization methods for biological macromolecules.

P Koehl; M Delarue

doi:10.1016/s0959-440x(96)80078-9

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Mean-field minimization methods for biological macromolecules.

P Koehl·M Delarue

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Abstract

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.

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Amino Acid Sequence Computer Simulation Mathematics Models, Molecular Nucleic Acid Conformation Protein Conformation Proteins Journal Article Review

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P Koehl, M Delarue. 1996. Mean-field minimization methods for biological macromolecules.. https://doi.org/10.1016/s0959-440x(96)80078-9

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