What is the MacroModel product suite and how will it help my research?
MacroModel is a premier force-field based modeling software package that consists of the Maestro graphical user interface, the MacroModel (formerly BatchMin) molecular mechanical computational engine, and the XCluster analysis module. In addition there are two extra charge modules: MINTA, a free-energy analysis module, and ConfGen, an advanced systematic conformational generation tool. MacroModel has powerful conformational searching and analysis utilities, simulation methods (dynamics or Monte Carlo, in gas phase or with an implicit solvent), free energy estimation capabilities, and a number of methods for exploring proteins and protein/ligand interactions. In addition, MacroModel can be used with a number of force fields and includes a sophisticated continuum solvation model using the Generalized Born/Surface Area (GB/SA) approach. The Maestro interface provides easy-to-use tools for building and manipulating both simple and complex chemical structures, and the MacroModel computation
