Brownian dynamics simulations of binding mRNA cap analogues to eIF4E protein.


The binding of five analogues of the 5'-end mRNA cap, differing in their electrostatic and hydrodynamic properties, to the eukaryotic initiation factor eIF4E was simulated by means of Brownian dynamics methods. Electrostatic and hydrodynamic models of eIF4E protein and the ligands were prepared using established molecular electrostatics and hydrodynamics… (More)


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