Molecular Modeling Software
MacroModel 8.1 includes automatic setup for MCMM calculations in batch mode, serial MCMM calculations, and mixed-mode searches with LMOD and LLMOD. The software offers a large selection of force fields and advanced methods for conformational analysis, molecular dynamics, and free energy calculations. It is well suited for general-purpose molecular mechanics for small and medium-sized organic molecules in both gas and solution phases. It has powerful utilities for exploring proteins and protein-ligand complexes. Other features include efficient and accurate solvation calculations. It has a multitude of methods available for conformational analysis and is easy to use via the Maestro Interface.