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Full-Text Articles in Physical Sciences and Mathematics
Thermodynamics Of Folding And Association Of Lattice-Model Proteins, Troy Cellmer, Dusan Bratko, John M. Prausnitz, Harvey Blanch
Thermodynamics Of Folding And Association Of Lattice-Model Proteins, Troy Cellmer, Dusan Bratko, John M. Prausnitz, Harvey Blanch
Chemistry Publications
Closely related to the “protein folding problem” is the issue of protein misfolding and aggregation. Proteinaggregation has been associated with the pathologies of nearly 20 human diseases and presents serious difficulties during the manufacture of pharmaceutical proteins. Computational studies of multiprotein systems have recently emerged as a powerful complement to experimental efforts aimed at understanding the mechanisms of proteinaggregation. We describe the thermodynamics of systems containing two lattice-model 64-mers. A parallel tempering algorithm abates problems associated with glassy systems and the weighted histogram analysis method improves statistical quality. The presence of a second chain has a substantial effect on single-chain …
Kinetics Of Ion-Induced Nucleation In A Vapor-Gas Mixture, Sergey P. Fisenko, David B. Kane, M. Samy El-Shall
Kinetics Of Ion-Induced Nucleation In A Vapor-Gas Mixture, Sergey P. Fisenko, David B. Kane, M. Samy El-Shall
Chemistry Publications
A general solution for the steady-state ion-induced nucleation kinetics has been derived, considering the differences between ion-induced nucleation and homogeneous nucleation. This solution includes a new effect for nucleation kinetics, the interaction of charged clusters with vapor molecules. Analytical expressions for the ion-induced nucleation rate have been obtained for the limiting cases of high and low thermodynamic barriers. The physical explanation of the so-called sign effect is proposed based on multipole expansion of an electric field of the cluster ion. This theory gives good agreement with experiments and is used to elucidate experimentally observed phenomena.