Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Rafael B, Frigori"'
Autor:
Fabio Rodrigues, Rafael B. Frigori
Publikováno v:
Journal of Molecular Modeling. 27
Injections of insulin are the main treatment for diabetes, but in the long run this therapy can induce serious drawbacks. This has inspired new drugs able to decrease insulin requirements. For instance, human amylin (hIAPP) is a small hormone cosecre
Publikováno v:
The journal of physical chemistry. B. 124(14)
We investigate the prevalence, and so the role in the amyloidogenesis, of biased conformations in large ensembles of monomeric forms for Aβ42 and Aβ40 that can trigger the formation and growth of fibrils described by a dock-lock mechanism. We model
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
We investigate the prevalence, and so the role in the amyloidogenesis, of biased conformations in large ensembles of monomeric forms for Aβ42 and Aβ40 that can trigger the formation and growth of f...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f772e6a37f37093f23754c6c314b2da7
Autor:
Nelson A. Alves, Rafael B. Frigori
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
Structural properties of Aβ(16-35) fragment are investigated as a model for the amyloid-β peptide excluding its coil-inducing terminals. Our replica-exchange molecular dynamics simulations using all-atom and explicit aqueous solvation widely reduce
Autor:
Rafael B. Frigori
Publikováno v:
Computer Physics Communications. 215:165-172
PHAST is a software package written in standard Fortran, with MPI and CUDA extensions, able to efficiently perform parallel multicanonical Monte Carlo simulations of single or multiple heteropolymeric chains, as coarse-grained models for proteins. Th
Autor:
Rafael B. Frigori
Publikováno v:
Physical Chemistry Chemical Physics. 19:25617-25633
Amylin, or human islet amyloid polypeptide (hIAPP), is a 37-residue hormone synergistic to insulin and co-secreted with it by β-cells in the pancreas. The deposition of its cytotoxic amyloid fibrils is strongly related to the progression of Type II
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
The USFDA has approved pramlintide, commercially named Symlin (sIAPP), as adjunctive therapy for type 2 diabetes (T2D). This analogue of the human amylin peptide (hIAPP) has triple proline substitutions typical of the rat isoform (rIAPP). Recently, i
Autor:
Rafael B. Frigori
Publikováno v:
Computer Physics Communications. 185:2232-2239
High-energy phenomena presenting strong dynamical correlations, long-range interactions and microscopic memory effects are well described by nonextensive versions of the canonical Boltzmann-Gibbs statistical mechanics. After a brief theoretical revie
Autor:
Rafael B. Frigori
Publikováno v:
Computer Physics Communications. 181:1388-1391
Short-time dynamics technique is used to study the relaxation process for the (2+1)-dimensional critical gluodynamics of the SU(2) lattice gauge theory. A generalized class of heat-bath-inspired updating algorithms was employed during the short-time
Autor:
Rafael B. Frigori
Publikováno v:
Nuclear Physics B. 833:17-27
We compute the spectrum of gluonic screening-masses in the 0 ++ channel of quenched 3d Yang-Mills theory near the phase-transition. Our finite-temperature lattice simulations are performed at scaling region, using state-of-art techniques for thermali