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A Gauss-Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations

Autor: Klippenstein, V., Wolf, N., van der Vegt, N. F. A.

Publikováno v: J. Chem. Phys. 160, 204115 (2024)

In molecular dynamics simulations, dynamically consistent coarse-grained (CG) models commonly use stochastic thermostats to model friction and fluctuations that are lost in a CG description. While Markovian, i.e., time-local, formulations of such the

Externí odkaz: http://arxiv.org/abs/2402.10652

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Akademický článek

Generation of G51D and 3D mice reveals decreased α-synuclein tetramer-monomer ratios promote Parkinson’s disease phenotypes

Autor: Silke Nuber, Xiaoqun Zhang, Thomas D. McCaffery, Tim E. Moors, Marie-Alexandre Adom, Wolf N. Hahn, Dylan Martin, Maria Ericsson, Arati Tripathi, Ulf Dettmer, Per Svenningsson, Dennis J. Selkoe

Publikováno v: npj Parkinson's Disease, Vol 10, Iss 1, Pp 1-12 (2024)

Abstract Mutations in the α-Synuclein (αS) gene promote αS monomer aggregation that causes neurodegeneration in familial Parkinson’s disease (fPD). However, most mouse models expressing single-mutant αS transgenes develop neuronal aggregates ve

Externí odkaz: https://doaj.org/article/352db539d02c431293173a6ee8a2d72f

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On Carbon Taxes Effectiveness to Induce a Clean Technology Transition: An Evaluation Framework Based on Optimal Strategic Capacity Planning

Autor: Wolf, N., Escalona, P., Angulo, A., Weston, J.

This paper studies carbon taxes effectiveness to induce a transition to cleaner production when a firm faces different technologies and demands. To determine carbon taxes effectiveness, we propose a framework based on a strategic capacity planning un

Externí odkaz: http://arxiv.org/abs/2202.11507

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