List of Publications Professor Klaus Schulten Departments of ...

[334] Mu Gao, Hui Lu, and Klaus Schulten. Unfolding of titin domains studied by molecular dynamics
simulations. J. Muscle Res. Cell Mot., 23:513–521, 2002.
[335] Mu Gao, David Craig, Viola Vogel, and Klaus Schulten. Identifying unfolding intermediates of FN-III10
by steered molecular dynamics. J. Mol. Biol., 323:939–950, 2002.
[336] M. V. Bayas, Klaus Schulten, and D. Leckband. Forced detachment of the CD2-CD58 complex.
Biophys. J., 84:2223–2233, 2003.
[337] Paul Grayson, Emad Tajkhorshid, and Klaus Schulten. Mechanisms of selectivity in channels and
enzymes studied with interactive molecular dynamics. Biophys. J., 85:36–48, 2003.
[338] Fangqiang Zhu and Klaus Schulten. Water and proton conduction through carbon nanotubes as models
for biological channels. Biophys. J., 85:236–244, 2003.
[339] Sanghyun Park, Melih K. S¸ener, Deyu Lu, and Klaus Schulten. Reaction paths based on mean firstpassage
times. J. Chem. Phys., 119:1313–1319, 2003.
[340] Emad Tajkhorshid, Aleksij Aksimentiev, Ilya Balabin, Mu Gao, Barry Isralewitz, James C. Phillips,
Fangqiang Zhu, and Klaus Schulten. Large scale simulation of protein mechanics and function. In
Frederic M. Richards, David S. Eisenberg, and John Kuriyan, editors, Advances in Protein Chemistry,
volume 66, pp. 195–247. Elsevier Academic Press, New York, 2003.
[341] Shigehiko Hayashi, Emad Tajkhorshid, and Klaus Schulten. Molecular dynamics simulation of bacteriorhodopsin’s
photoisomerization using ab initio forces for the excited chromophore. Biophys. J.,
85:1440–1449, 2003.
[342] Sanghyun Park, Fatemeh Khalili-Araghi, Emad Tajkhorshid, and Klaus Schulten. Free energy calculation
from steered molecular dynamics simulations using Jarzynski’s equality. J. Chem. Phys.,
119:3559–3566, 2003.
[343] Justin Gullingsrud and Klaus Schulten. Gating of MscL studied by steered molecular dynamics.
Biophys. J., 85:2087–2099, 2003.
[344] Morten Ø. Jensen, Emad Tajkhorshid, and Klaus Schulten. Electrostatic tuning of permeation and
selectivity in aquaporin water channels. Biophys. J., 85:2884–2899, 2003.
[345] Deyu Lu, Paul Grayson, and Klaus Schulten. Glycerol conductance and physical asymmetry of the
Escherichia coli glycerol facilitator GlpF. Biophys. J., 85:2977–2987, 2003.
[346] Markus Dittrich, Shigehiko Hayashi, and Klaus Schulten. On the mechanism of ATP hydrolysis in
F1-ATPase. Biophys. J., 85:2253–2266, 2003.
[347] Mu Gao, David Craig, Olivier Lequin, Iain D. Campbell, Viola Vogel, and Klaus Schulten. Structure
and functional significance of mechanically unfolded fibronectin type III1 intermediates. Proc. Natl.
Acad. Sci. USA, 100:14784–14789, 2003.
[348] Mehmet Sarikaya, Candan Tamerler, Alex K. -Y. Jen, Klaus Schulten, and François Baneyx. Molecular
biomimetics: nanotechnology through biology. Nature Materials, 2:577–585, 2003.
[349] Alexander Balaeff, L. Mahadevan, and Klaus Schulten. Structural basis for cooperative DNA binding
by CAP and Lac repressor. Structure, 12:123–132, 2004.
[350] Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Theory and simulation of water permeation
in aquaporin-1. Biophys. J., 86:50–57, 2004.
[351] David Craig, Mu Gao, Klaus Schulten, and Viola Vogel. Tuning the mechanical stability of fibronectin
type III modules through sequence variation. Structure, 12:21–30, 2004.