Detalle de: Adaptation of a multi-resolution docking bioinformatics application to the grid

Rigid body tting is the common way to interpret the information contained in a 3D electron microscope (3DEM) medium-low resolution map in terms of its available atomic resolution structural components. This tting process, termed multi-resolution docking, consists in localizing atomic resolution structures into the 3D EM map by means of an exhaustive search of all possible relative rotations and translations. In addition to the cost of a single search, the necessity to carry out multiple searches with many different structures makes this problem appropriate for high performance computing (HPC). The Grid Computing paradigm provides such computing power for this type of resource-intensive scientic applications by given access to large resource pools conformed from shared assets of different centers or administration entities. Here, we present an efcient Grid approach for performing the