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Curr Opin Struct Biol. 2002 Apr;12(2):204-13.

Biomolecular diffusional association.

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European Media Laboratory (EML) and European Molecular Biology Laboratory (EMBL), Heidelberg, Germany.


The primary method for the computational study of biomolecular diffusional association is Brownian dynamics. Recent work has seen advances in the efficiency of computing association rates and in the accuracy of simulation models. New areas to which Brownian dynamics has been applied include protein polymerisation and protein adsorption to a surface. There has recently been particularly intense study of protein-protein association, and Brownian dynamics, together with other theoretical and experimental approaches, has led to new insights into the determinants of protein-protein binding kinetics.

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