Simulations provide information concerning molecular-level structure, interactions, and energetics.
Using the latest algorithms and methodology, you can explore in detail the dynamics and thermodynamics of your system of interest, providing insight into your current experiments and suggesting new directions for future efforts. The force field engine uses an empirical energy function to describe the forces on atoms in a molecule. DeCipher is a powerful and flexible program for high-level analysis of molecular structure and the results of molecular dynamics simulations. MCSS searches potential active sites in proteins for potential binding points using a unique, computationally efficient approach. A Program for Macromolecular Energy, Minimization, and Dynamics Calculations.