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Simulate the diffusion of proteins and compute diffusional association rates

SDA (Simulation of Diffusional Association) is a Brownian dynamics simulation software package for the simulation of the diffusion of biomacromolecules in aqueous solution. SDA can be used to compute bimolecular diffusional association rate constants and to predict the structures of diffusional encounter complexes. It can also be used to simulate dilute or concentrated protein solutions and to investigate the adsorption of proteins to solid surfaces. SDA7 is available for standalone use and a subset of the functionality is implemented in the webSDA webserver.

Schematic illustration of SDA simulations of the diffusional association of two proteins, a protein to a surface, and many proteins in the presence of a surface.

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