In this paper we present new approaches to high performance protein database scanning on two novel massively parallel architectures to gain supercomputer power at low cost. The ļ¬...
ā This study introduces the multi-criteria approach to the optimization of dynamic molecular alignment by shaped femtosecond laser pulses, which has been considered so far only a...
We present a novel method to measure saliency in molecular dynamics simulation data. This saliency measure is based on a multiscale center-surround mechanism, which is fast and ef...
Structured data represented in the form of graphs arises in several ļ¬elds of the science and the growing amount of available data makes distributed graph mining techniques partic...
We propose a new kernel function for attributed molecular graphs, which is based on the idea of computing an optimal assignment from the atoms of one molecule to those of another ...