PerspectiveBioinformatics

Reality Simulation--Observe While It Happens

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Science  14 Dec 2001:
Vol. 294, Issue 5550, pp. 2304-2305
DOI: 10.1126/science.1067546

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Summary

Decades of method development and increasing computational power are enabling researchers to simulate complex biological processes in real time. In his Perspective, Berendsen highlights the report by de Groot and Grubmüller, who simulate the permeation of water through the membrane-channel protein aquaporin-1 at atomic resolution. Simulations of this sort provide insights into the permeation mechanism and can help to refine rate theories and to check the validity of approximations made to study events on much longer time scales.

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