We propose a general framework for approximating the potential of mean force (PMF) along a reaction coordinate in conformational space. This framework, based on the method of weighted residuals, can be viewed as a generalization of thermodynamic integration and direct histogram methods. Using weighted residuals allows for higher-order approximations to the PMF in the form of a global spectral m...

We consider the aff(1)-module structure on the spaces of bilinear differential operators acting on the spaces of weighted densities. We compute the first differential cohomology of the Lie superalgebra aff(1) with coefficients in space Dλ,ν;µ of bilinear differential operators acting on weighted densities. We study also the super analogue of this problem getting the same results.

Image indexing is the process of image retrieval from databases of images or videos based on their contents. Specifically, histogram-based algorithms are considered to be effective for color image indexing. We suggest a new method of color space quantization in the CIELUV color space, named weighted LUV quantization. With this method, each bin in the LUV space has a different weighting factor, ...