List of Publications Professor Klaus Schulten Departments of ...

[554] Xabier Agirrezabala, Eduard Schreiner, Leonardo G. Trabuco, Jianlin Lei, Rodrigo F. Ortiz-Meoz,
Klaus Schulten, Rachel Green, and Joachim Frank. Structural insights into cognate vs. near-cognate
discrimination during decoding. EMBO J., 30:1497–1507, 2011.
[555] Yi Wang, Chris B. Harrison, Klaus Schulten, and J. Andrew McCammon. Implementation of accelerated
molecular dynamics in NAMD. Comput. Sci. Discov., 4:015002, 2011. (11 pages).
[556] Johan Strümpfer and Klaus Schulten. The effect of correlated bath fluctuations on exciton transfer.
J. Chem. Phys., 134:095102, 2011. (9 pages).
[557] David E. Tanner, Kwok-Yan Chan, James Phillips, and Klaus Schulten. Parallel generalized Born
implicit solvent calculations with NAMD. J. Chem. Theor. Comp., 7:3635–3642, 2011.
[558] Chaitanya Sathe, Xueqing Zou, Jean-Pierre Leburton, and Klaus Schulten. Computational investigation
of DNA detection using graphene nanopores. ACS Nano, 5:8842–8851, 2011.
[559] Sang-Hun Song, Peter Freddolino, Abigail Nash, Elizabeth Carroll, Klaus Schulten, Kevin Gardner,
and Delmar S. Larsen. Modulating LOV domain photodynamics with a residue alteration outside the
chromophore binding site. Biochemistry, 50:2411–2423, 2011.
[560] Ulrich Kleinekathoefer, Barry Isralewitz, Markus Dittrich, and Klaus Schulten. Domain motion of
individual F1-ATPase β-subunits during unbiased molecular dynamics simulations. J. Phys. Chem.,
115:7267–7274, 2011.
[561] James Gumbart, Christophe Chipot, and Klaus Schulten. Free energy of nascent-chain folding in the
translocon. J. Am. Chem. Soc., 133:7602–7607, 2011.
[562] David E. Tanner, Wen Ma, Zhongzhou Chen, and Klaus Schulten. Theoretical and computational
investigation of flagellin translocation and bacterial flagellum growth. Biophys. J., 100:2548–2556,
2011.
[563] Yanxin Liu, Jen Hsin, HyeongJun Kim, Paul R Selvin, and Klaus Schulten. Extension of a three-helix
bundle domain of myosin VI and key role of calmodulins. Biophys. J., 100:2964–2973, 2011.
[564] Eduard Schreiner, Leonardo G. Trabuco, Peter L. Freddolino, and Klaus Schulten. Stereochemical
errors and their implications for molecular dynamics simulations. BMC Bioinform, 12:190, 2011.
[565] Ramya Gamini, Marcos Sotomayor, Christophe Chipot, and Klaus Schulten. Cytoplasmic domain
filter function in the mechanosensitive channel of small conductance. Biophys. J., 101:80–89, 2011.
[566] Carsten Olbrich, Thomas L. C. Jansen, Jörg Liebers, Mortaza Aghtar, Johan Strümpfer, Klaus Schulten,
Jasper Knoester, and Ulrich Kleinekathoefer. From atomistic modeling to excitation transfer and
two-dimensional spectra of the FMO light-harvesting complex. J. Phys. Chem. B, 115(26):8609–8621,
2011.
[567] Philip M.D. Severin, Xueqing Zou, Hermann E. Gaub, and Klaus Schulten. Cytosine methylation
alters DNA mechanical properties. Nucleic Acids Res., 39:8740–8751, 2011.
[568] John E. Stone, Kirby L. Vandivort, and Klaus Schulten. Immersive out-of-core visualization of largesize
and long-timescale molecular dynamics trajectories. Lect. Notes in Comp. Sci., 6939:1–12, 2011.
[569] Carsten Olbrich, Johan Strümpfer, Klaus Schulten, and Ulrich Kleinekathoefer. Theory and simulation
of the environmental effects on FMO electronic transitions. J. Phys. Chem. Lett., 2:1771–1776, 2011.
[570] Jen Hsin, Loren LaPointe, Alla Kazy, Christophe Chipot, Alessandro Senes, and Klaus Schulten.
Oligomerization state of photosynthetic core complexes is correlated with the dimerization affinity of
a transmembrane helix. J. Am. Chem. Soc., 133:14071–14081, 2011.