We are developing distance-restrained docking strategies for modeling macromolecular complexes that combine available high-resolution structures of the components and intercomponent distance restraints derived from systematic fluorescence resonance energy transfer (FRET) measurements. In this article, we consider the problem of docking small-molecule ligands within macromolecular complexes. Usi...

A quantitative analysis of grid-related systematic errors in oxidising capacity and ozone production rates in chemistry transport models J. G. Esler, G. J. Roelofs, M. O. Köhler, and F. M. O’Connor Department of Mathematics, University College London, UK Institute for Marine and Atmospheric research, Utrecht – IMAU, The Netherlands Centre for Atmospheric Science, University of Cambridge, Cambri...

in this paper, forecasting error for state tax revenues is assessed. for this purpose, using the regression equation, statistical index, and mean percent error, root mean square error, mean absolute percent error and error analysis of tile inequality coefficients are applied on anticipated revenue from taxes on legal entities, income taxes, wealth tax, taxes on imports and taxes on consumption ...