Protein Folding Kinetics: Time Scales, Pathways, and Energy Landscapes in Terms of Sequence Dependent Properties
| dc.creator | Veitshans, T. | |
| dc.creator | Klimov, D. K. | |
| dc.creator | Thirumalai, D. | |
| dc.date | 1996-11-08 | |
| dc.date.accessioned | 2026-07-07T09:11:16Z | |
| dc.date.available | 2026-07-07T09:11:16Z | |
| dc.description | The folding kinetics of a number of sequences for off-lattice continuum model of proteins is studied using Langevin simulations at two values of the friction coefficient. We show that there is a remarkable correlation between folding times, $τ_{F}$, and $σ= (T_{θ} - T_{F})/T_{θ} $, where $T_{θ}$ and $T_{F}$ are the equilibrium collapse and folding transition temperatures, respectively. The microscopic dynamics reveals several scenarios for the refolding kinetics depending on the values of $σ$. Proteins with small $σ$ reach the native conformation via a nucleation collapse mechanism and their energy landscape is characterized by single dominant native basin of attraction. Proteins with large $σ$ get trapped in competing basins of attraction, in which they adopt misfolded structures. In this case only a small fraction of molecules $Φ$ access the native state rapidly, the majority of them approach the native state by a three stage multipathway mechanism. The partition factor $Φ$ is determined by $σ$: smaller the value of $σ$ larger is $Φ$. The qualitative aspects of our results are found to be independent of the friction coefficient. Estimates for time scales for folding of small proteins via a nucleation collapse mechanism are presented. | |
| dc.description | 69 pages, Latex, 26 Postscript figures, to be published in Folding & Design | |
| dc.identifier | https://arxiv.org/abs/cond-mat/9611065 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/9611065 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/151619 | |
| dc.subject | Statistical Mechanics | |
| dc.subject | Quantitative Biology | |
| dc.title | Protein Folding Kinetics: Time Scales, Pathways, and Energy Landscapes in Terms of Sequence Dependent Properties | |
| dc.type | text |