We study duality relations for zeta and Mobius matrices and monotone conditions on the kernels. We focus on the cases of families of sets and partitions. The conditions for positivity of the dual kernels are stated in terms ...

Heme proteins are ubiquitous in nature and perform many diverse functions in all kingdoms of life. Many of these functions are related to large-scale conformational transitions and allosteric processes. Sampling of these ...

Coarse grain (CG) models allow long-scale simulations with a much lower computational cost than that of all-atom simulations. However, the absence of atomistic detail impedes the analysis of specific atomic interactions ...

We investigated the encapsulation of prilocaine (PLC), an aminoamide local anesthetic widely used in dentistry, into a small unilamellar liposome. We extended a recently developed coarse grained model to access the problem ...

Líquidos iônicos são sais fundidos em temperaturas inferiores a 100 °C e têm sido alvo de intensa investigação na Academia como eletrólitos para supercapacitores. Modelos coarse-grained têm sido amplamente utilizados em ...

Volume conserving surface (VCS) models without deposition and evaporation, as well as ideal molecular-beam epitaxy models, are prototypes to study the symmetries of conserved dynamics. In this work we study two similar VCS ...