%0 Journal Article %1 hlwoodcock:Q.1997-a %A Zhou, Y. Q. %A Karplus, M. %D 1997 %J Proc. Natl. Acad. Sci. USA %K collapse globules and bernie disordered transition two-state hydrophobic globule lindemann crystal-structures ordered dynamics temperature molten phase-diagram solid surface criterion %N 26 %P 14429--14432 %T Folding thermodynamics of a model three-helix-bundle protein %V 94 %X The calculated folding thermodynamics of a simple off-lattice three-helix-bundle protein model under equilibrium conditions shows the experimentally observed protein transitions: a collapse transition, a disordered-to-ordered globule transition, a globule to native-state transition, and the transition from the active native state to a frozen inactive state. The cooperativity and physical origin of the various transitions are explored with a single öptimization" parameter and characterized with the Lindemann criterion for liquid versus solid-state dynamics. Below the folding temperature, the model has a simple free energy surface with a single basin near the native state; the surface is similar to that calculated from a simulation of the same three-helix-bundle protein with an all-atom representation Boczko, E. M. & Brooks III, C. L. (1995) Science 269, 393-396.

@article{hlwoodcock:Q.1997-a, abstract = {The calculated folding thermodynamics of a simple off-lattice three-helix-bundle protein model under equilibrium conditions shows the experimentally observed protein transitions: a collapse transition, a disordered-to-ordered globule transition, a globule to native-state transition, and the transition from the active native state to a frozen inactive state. The cooperativity and physical origin of the various transitions are explored with a single "optimization" parameter and characterized with the Lindemann criterion for liquid versus solid-state dynamics. Below the folding temperature, the model has a simple free energy surface with a single basin near the native state; the surface is similar to that calculated from a simulation of the same three-helix-bundle protein with an all-atom representation [Boczko, E. M. \& Brooks III, C. L. (1995) Science 269, 393-396].}, added-at = {2006-06-16T05:03:46.000+0200}, author = {Zhou, Y. Q. and Karplus, M.}, biburl = {https://www.bibsonomy.org/bibtex/259e13f1622023c6759d37d393fd08851/hlwoodcock}, citeulike-article-id = {569333}, comment = {YN574 PROC NAT ACAD SCI USA}, interhash = {422216140aa765838d20cd00302ddb1e}, intrahash = {59e13f1622023c6759d37d393fd08851}, journal = {Proc. Natl. Acad. Sci. USA}, keywords = {collapse globules and bernie disordered transition two-state hydrophobic globule lindemann crystal-structures ordered dynamics temperature molten phase-diagram solid surface criterion}, number = 26, pages = {14429--14432}, priority = {2}, timestamp = {2006-06-16T05:03:46.000+0200}, title = {Folding thermodynamics of a model three-helix-bundle protein}, volume = 94, year = 1997 }