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Science 14 December 2001:
Vol. 294. no. 5550, pp. 2304 - 2305
DOI: 10.1126/science.1067546

Perspectives

BIOINFORMATICS:
Reality Simulation--Observe While It Happens

Herman J. C. Berendsen

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.


The author is emeritus professor at the Groningen Biomolecular Sciences and Biotechnology Institute (GBB), University of Groningen, Nijenborgh 4, 9747 AG Groningen, Netherlands. E-mail: berendsen{at}chem.rug.nl

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THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
Penetratin-Membrane Association: W48/R52/W56 Shield the Peptide from the Aqueous Phase.
M. F. Lensink, B. Christiaens, J. Vandekerckhove, A. Prochiantz, and M. Rosseneu (2005)
Biophys. J. 88, 939-952
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Conformational Transitions Induced by the Binding of MgATP to the Vitamin B12 ATP-binding Cassette (ABC) Transporter BtuCD.
E. O. Oloo and D. P. Tieleman (2004)
J. Biol. Chem. 279, 45013-45019
   Abstract »    Full Text »    PDF »
Studies of Proton Translocations in Biological Systems: Simulating Proton Transport in Carbonic Anhydrase by EVB-Based Models.
S. Braun-Sand, M. Strajbl, and A. Warshel (2004)
Biophys. J. 87, 2221-2239
   Abstract »    Full Text »    PDF »
What Really Prevents Proton Transport through Aquaporin? Charge Self-Energy versus Proton Wire Proposals.
A. Burykin and A. Warshel (2003)
Biophys. J. 85, 3696-3706
   Abstract »    Full Text »    PDF »



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Science. ISSN 0036-8075 (print), 1095-9203 (online)