Brownian dynamics is a  methods that allows the diffusional motions of solutes to be simulated in implicit solvent.

In Brownian dynamics (BD) simulations, solute particles diffuse in a solvent that is modelled as a continuum that influences interparticle forces, and exerts stochastic and frictional effects on particle motion. BD simulations provide a powerful tool to study biomolecular recognition processes accounting for hydrodynamic interactions. They can, for example, be used to compute bimolecular association rate constants, to dock molecules to predict the structure of their complex, and to investigate the effects of macromolecular crowding on molecular association processes.



Computational Tools

Brownian dynamics can be performed using the following software tools:


The folowing tutorial describes the use of Brownian dynamics: