Ways and Means article - no abstract - first paragraph:
The spectacular developments of recent years towards solving atomic structures of ever-increasing complexity underscore the importance of relating 3D structures of multi-component cellular machines to molecular mechanisms. To understand the workings of these machines , we face many challenges, one of which is to describe the structure and functional mechanisms at atomic level of detail. The atomic structure of a molecular machine in a particular state of processing can be inferred by building it from its components, i.e., by combining multi-resolution data from a variety of biophysical sources. This hybrid modeling approach holds much promise, provided that the docking procedure is reproducible and incorporates the constraints of molecular interactions and architecture. In the following, we present an overview of state-of-the-art computational fitting techniques and, wherever possible, we put them to a stringent test to discuss their advantages and limitations. The assessment of the scope and validity of individual methods will hopefully serve as a ``consumer guide'' that allows the reader to identify the most suitable docking criteria given a specific fitting problem.