Recently, the concept of coarseness was introduced as a measure of how blended a 2-colored point set S is. In the definition of this measure, a convex partition Π, that is, a partition of S into sets {S1, . . . , Sk} of ...

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 ...