List of Publications Professor Klaus Schulten Departments of ...

[588] David E. Tanner, James C. Phillips, and Klaus Schulten. GPU/CPU algorithm for generalized Born
/ solvent-accessible surface area implicit solvent calculations. J. Chem. Theor. Comp., 8:2521–2530,
2012.
[589] Eleonore von Castelmur, Johan Strümpfer, Barbara Franke, Julijus Bogomolovas, Sonia Barbieri,
Hiroshi Qadota, Petr V. Konarev, Dmitri I. Svergun, Siegfried Labeit, Guy M. Benian, Klaus Schulten,
and Olga Mayans. Identification of an N-terminal inhibitory extension as the primary mechanosensory
regulator of twitchin kinase. Proc. Natl. Acad. Sci. USA, 109:13608–13613, 2012.
[590] Johan Strümpfer and Klaus Schulten. Excited state dynamics in photosynthetic reaction center and
light harvesting complex 1. J. Chem. Phys., 137:065101, 2012. (8 pages).
[591] Ilia A. Solov’yov, Po-Yao Chang, and Klaus Schulten. Vibrationally assisted electron transfer mechanism
of olfaction: Myth or reality? Phys. Chem. Chem. Phys., 14:13861–13871, 2012.
[592] Danielle E. Chandler, Francois Penin, Klaus Schulten, and Christophe Chipot. The p7 protein of
hepatitis C virus forms structurally plastic, minimalist ion channels. PLoS Comput. Biol., 8:e1002702,
2012.
[593] Yi Chen, Eduardo R. Cruz-Chu, Jaie Woodard, Manas Ranjan Gartia, Klaus Schulten, and Logan
Liu. Electrically induced conformational change of peptides on metallic nano-surfaces. ACS Nano,
6:8847–8856, 2012.
[594] Ariela Vergara-Jaque, Horacio Poblete, Eric Lee, Klaus Schulten, Fernando González-Nilo, and
Christophe Chipot. Molecular basis of drug resistance in A/H1N1 virus. J. Chem. Inf. Model., 52:2650–
2656, 2012.
[595] Ilia A. Solov’yov, Tatiana Domratcheva, Abdul R. M. Shahi, and Klaus Schulten. Decrypting cryptochrome:
Revealing the molecular identity of the photoactivation reaction. J. Am. Chem. Soc.,
134:18046–18052, 2012.
[596] Wei Han and Klaus Schulten. Further optimization of a hybrid united-atom and coarse-grained force
field for folding simulations: Improved backbone hydration and interactions between charged side
chains. J. Chem. Theor. Comp., 8:4413–4424, 2012.
[597] Ernesto Vargas, Vladimir Yarov-Yarovoy, Fatemeh Khalili-Araghi, William A. Catterall, Michael L.
Klein, Mounir Tarek, Erik Lindahl, Klaus Schulten, Eduardo Perozo, Francisco Bezanilla, and Benot
Roux. Viewpoint: An emerging consensus on voltage-dependent gating from computational modeling
and molecular dynamics simulations. J. Gen. Physiol., 140:587–594, 2012.
[598] Ioan Kosztin and Klaus Schulten. Structure, function, and quantum dynamics of pigment-protein
complexes. In Masoud Mohseni, Yasser Omar, Greg Engel, and Martin B. Plenio, editors, Quantum
Effects in Biology. Cambridge University Press, 2012. To be published.
[599] Philip M.D. Severin, Xueqing Zou, Klaus Schulten, and Hermann E. Gaub. Effects of cytosine hydroxymethylation
on DNA strand separation. Biophys. J., 2012. In press.
[600] Xue Wang, Fengting Xu, Jiasen Liu, Bingquan Gao, Yanxin Liu, Yujia Zhai, Jun Ma, Kai Zhang,
Timothy S. Baker, Klaus Schulten, Dong Zheng, Hai Pang, and Fei Sun. Atomic model of rabbit
hemorrhagic disease virus by cryo-electron microscopy and crystallography. PLoS Pathog., 2012. In
press.
[601] Hang Yu and Klaus Schulten. Membrane sculpting by F-BAR domains studied by molecular dynamics
simulations. PLoS Comput. Biol., 2012. In press.
[602] Markita P. Landry, Xueqing Zou, Lei Wang, Wai Mun Huang, Klaus Schulten, and Yann R. Chemla.
DNA target sequence identification mechanism for dimer-active protein complexes. Nucleic Acids Res.,
2012. In press.