Hilser Lab: COREX/BEST // BEST History

History

The COREX algorithm (1) was conceived and co-developed with Ernesto Freire (at Johns Hopkins University). COREX was originally developed to capture the hydrogen exchange behavior that is observed for proteins under native conditions. The hallmark feature of the COREX approach is that rather than treating proteins as single conformations, which structurally evolve over a time course, COREX generates an instantaneous ensemble. Since the initial publication of COREX in 1996, we have significantly enhanced the capabilities (2-5), as well as making numerous algorithmic improvements. The current version of this algorithm, which utilizes these improvements, is referred to as COREX/BEST or simply BEST (Biology using Ensemble-based Structural Thermodynamics).

References

To see recent publications by the Hilser laboratory, related to COREX visit our recent publications.

Hilser, V.J., and E. Freire. (1996) Structure Based Calculation of the Equilibrium Folding Pathway of Proteins. Correlation with Hydrogen Exchange Protection Factors. J. Mol. Biol. 262: 756-772.
Hilser, V.J., Dowdy, D., Oas, T., and E. Freire. (1998) Structural Distribution of Cooperative Interactions in Proteins. Analysis of the Native State Ensemble. Proc. Nat. Acad. Sci. USA. 95: 9903-9908.
Pan, H., Lee, J.C. and V.J. Hilser. (2000) Binding Sites in Escherichia Coli Communicate by Modulating the Conformational Ensemble. Proc. Nat. Acad. Sci. USA 97, 12020-12025.
Whitten, S.T., Garcia-Moreno E.,B., and V.J. Hilser (2005) Local Fluctuations Can Modulate the Coupling Between Proton Binding and Global Structural Transitions in Proteins. Proc. Nat. Acad. Sci. USA. (In Press).
Hilser, V. J., Garcia-Moreno E., B., Oas, T. G., Kapp, G., S.T. Whitten. (2006) A Statistical Thermodynamic Model of the Protein Ensemble. Chem. Rev.; 106(5); 1545-1558.

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