A bias-exchange approach to protein folding

Article Abstract:

A powerful methodology is introduced which allows the parallel reconstruction of the free energy of a system in a virtually unlimited number of variables. The usefulness of this method is demonstrated by performing an atomistic simulation in explicit solvent of the folding of a Triptophane cage miniproteins .

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Oscillatory molecular driving force for protein folding at high concentration: a molecular simulation

Article Abstract:

A Langevin dynamics simulation has suggested a novel way to fold protein at high concentration. The advantage of this method in boosting protein folding while depressing aggregation is shown by comparing the methods based on direct dilution or applying a denaturant gradient.

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Evaluation of configurational entropy methods from peptide folding-unfolding simulations

Article Abstract:

The analysis of several entropy estimators based on a 4-[mu]s MD simulation of the 16-amino-acid second [beta]-hairpin of the B1 domain of streptococcal protein G is presented.

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