STALK users guide
IL (United States). Environmental Assessment and Information Sciences Div. Argonne National Lab., D Levine, USDOE, Washington, DC (United States) (US), Michael A. Facello, P. Hallstrom, G Reeder, B Walenz, F. Stevens · 1996
STALK is a system that models molecular docking between two proteins. A problem is posed as an optimization problem where the objective is to minimize the free energy of the molecular system by maximizing the intermolecular interaction energy between the molecules. The possible number of conformations between the two molecules can be very large. A parallel genetic algorithm (GA) is used to explore the conformation space and identify the low-energy molecular configurations. The CAVE, a virtual reality environment, can be used to visualize and interact with the systems while it is executing.