List of Publications Professor Klaus Schulten Departments of ...

[371] Aleksij Aksimentiev, Jiunn Benjamin Heng, Gregory Timp, and Klaus Schulten. Microscopic kinetics
of DNA translocation through synthetic nanopores. Biophys. J., 87:2086–2097, 2004.
[372] Markus Dittrich, Shigehiko Hayashi, and Klaus Schulten. ATP hydrolysis in the βTP and βDP catalytic
sites of F1-ATPase. Biophys. J., 87:2954–2967, 2004.
[373] Marcos Sotomayor and Klaus Schulten. Molecular dynamics study of gating in the mechanosensitive
channel of small conductance MscS. Biophys. J., 87:3050–3065, 2004.
[374] David Craig, Mu Gao, Klaus Schulten, and Viola Vogel. Structural insights into how the MIDAS ion
stabilizes integrin binding to an RGD peptide under force. Structure, 12:2049–2058, 2004.
[375] Felix Autenrieth, Emad Tajkhorshid, Klaus Schulten, and Zaida Luthey-Schulten. Role of water in
transient cytochrome c2 docking. J. Phys. Chem. B, 108:20376–20387, 2004.
[376] Ioan Kosztin and Klaus Schulten. Fluctuation-driven molecular transport through an asymmetric
membrane channel. Phys. Rev. Lett., 93:238102, 2004. (4 pages).
[377] Deyu Lu, Yan Li, Slava V. Rotkin, Umberto Ravaioli, and Klaus Schulten. Finite-size effect and wall
polarization in a carbon nanotube channel. Nano Lett., 4:2383–2387, 2004.
[378] Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Collective diffusion model for water permeation
through microscopic channels. Phys. Rev. Lett., 93:224501, 2004. (4 pages).
[379] Jin Yu, Taekjip Ha, and Klaus Schulten. Conformational model of the Holliday junction transition
deduced from molecular dynamics simulations. Nucleic Acids Res., 32:6683–6695, 2004.
[380] Amy Y. Shih, Ilia G. Denisov, James C. Phillips, Stephen G. Sligar, and Klaus Schulten. Molecular
dynamics simulations of discoidal bilayers assembled from truncated human lipoproteins. Biophys. J.,
88:548–556, 2005.
[381] Emad Tajkhorshid, Jordi Cohen, Aleksij Aksimentiev, Marcos Sotomayor, and Klaus Schulten. Towards
understanding membrane channels. In Boris Martinac and Andrzej Kubalski, editors, Bacterial
ion channels and their eukaryotic homologues, pp. 153–190. ASM Press, Washington, DC, 2005.
[382] Melih S¸ener and Klaus Schulten. Physical principles of efficient excitation transfer in light harvesting.
In David L. Andrews, editor, Energy Harvesting Materials, pp. 1–26. World Scientific, Singapore, 2005.
[383] Yan Li, Deyu Lu, Slava V. Rotkin, Klaus Schulten, and Umberto Ravaioli. Screening of water dipoles
inside finite-length armchair carbon nanotubes. J. Comp. Electron., 4:161–165, 2005.
[384] Emad Tajkhorshid, Fangqiang Zhu, and Klaus Schulten. Kinetic theory and simulation of singlechannel
water transport. In S. Yip, editor, Handbook of Materials Modeling, Vol. I: Methods and
Models, pp. 1797–1822. Springer, Netherlands, 2005.
[385] Jordi Cohen, Kwiseon Kim, Matthew Posewitz, Maria L. Ghirardi, Klaus Schulten, Michael Seibert,
and Paul King. Molecular dynamics and experimental investigation of H2 and O2 diffusion in [Fe]hydrogenase.
Biochem. Soc. Trans., 33:80–82, 2005.
[386] Maria L. Ghirardi, Paul W. King, Matthew C. Posewitz, Pin Ching Maness, Alexander Fedorov,
Kwiseon Kim, Jordi Cohen, Klaus Schulten, and Michael Seibert. Approaches to developing biological
H2-photoproducing organisms and processes. Biochem. Soc. Trans., 33:70–72, 2005.
[387] Aleksij Aksimentiev and Klaus Schulten. Imaging alpha-hemolysin with molecular dynamics: Ionic
conductance, osmotic permeability and the electrostatic potential map. Biophys. J., 88:3745–3761,
2005.
[388] Elizabeth Villa, Alexander Balaeff, and Klaus Schulten. Structural dynamics of the Lac repressor-DNA
complex revealed by a multiscale simulation. Proc. Natl. Acad. Sci. USA, 102:6783–6788, 2005.