New Development in Brownian Dynamics Simulations

Gary Huber
Howard Hughes Medical Institute, and Chemistry and Biochemistry Department
UC San Diego


ABSTRACT

As the demand increases for accurate yet efficient simulations of systems of large biomolecules, Brownian dynamics will become a more important tool. However, many improvements in this technique are needed. Recent and on-going developments, as well as promising directions, will be reviewed. Topics will include hydrodynamic forces, trajectory propagation methods, adaptive charge lumping, and addition of physical flexibility.