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To go native, contact the education ministry.
where γ is the surface tension and θ is the native contact angle on the surface.
Using native contact analysis, we relate the mechanically robust shearing geometry with concurrent rupture of native contacts.
Instead, we find that the crucial factor in discriminating among topological pathways is the heterogeneity of native contact energies: The order in which native contacts accumulate is profoundly insensitive to omission of nonnative interactions, provided that native contact heterogeneity is retained.
The water-absorption speed of porous media can be characterized by the hydraulic diffusivity, Dcap=rcγcosθμ−1, and rc is the effective capillary radius, θ is the native contact angle of surface and μ is dynamic viscosity of the liquid47.
The role of native contact topology in the folding of a TIM barrel model based on the α-subunit of tryptophan synthase (αTS) from Salmonella typhimurium (Protein Data Bank structure 1BKS) was studied using both equilibrium and kinetic simulations.
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Best, R. B., Hummer, G. & Eaton, W. A. Native contacts determine protein folding mechanisms in atomistic simulations.
The preferred pathway starts with loss of native contacts between N-terminal -β33 N-terminal -β3with N-terminal -β3
The loss of energy due to breakage of native contacts is compensated by non-native transient hydrogen bonds during the transition thereby 'holding on' to the energy until the new native contacts form that define the alternate functional state.
In order to recover a melting temperature comparable to that from the experiments (340 K15) we scaled up the native contacts by 50%.
Interestingly, besides the native and unfolded states, we also observed a distinct molten globule (MG) state that retained substantial amount of native contacts.
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