Publications: Most Representative
These papers are representative of our work:| 480. A structural mechanism for MscS gating in lipid bilayers. Valeria Vasquez, Marcos Sotomayor, Julio Cordero-Morales, Klaus Schulten, and Eduardo Perozo. Science, 321:1210-1214, 2008. |
| 477. Intrinsic curvature properties of photosynthetic proteins in chromatophores. Danielle Chandler, Jen Hsin, Christopher B. Harrison, James Gumbart, and Klaus Schulten. Biophysical Journal, 95:2822-2836, 2008. |
| 473. Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics. Leonardo G. Trabuco, Elizabeth Villa, Kakoli Mitra, Joachim Frank, and Klaus Schulten. Structure, 16:673-683, 2008. |
| 469. Ten-microsecond molecular dynamics simulation of a fast-folding WW domain. Peter L. Freddolino, Feng Liu, Martin Gruebele, and Klaus Schulten. Biophysical Journal, 94:L75-L77, 2008. |
| 465. Molecular basis of fibrin clot elasticity. Bernard Lim, Eric H. Lee, Marcos Sotomayor, and Klaus Schulten. Structure, 16:449-459, 2008. |
| 459. Biomolecular modeling in the era of petascale computing. Klaus Schulten, James C. Phillips, Laxmikant V. Kalé, and Abhinav Bhatele. In David Bader, editor, Petascale Computing: Algorithms and Applications, pp. 165-181. Chapman and Hall/CRC Press, Taylor and Francis Group, New York, 2008. |
| 457. Computer modeling in biotechnology, a partner in development. Aleksei Aksimentiev, Robert Brunner, Jordi Cohen, Jeffrey Comer, Eduardo Cruz-Chu, David Hardy, Aruna Rajan, Amy Shih, Grigori Sigalov, Ying Yin, and Klaus Schulten. In Protocols in Nanostructure Design, Methods in Molecular Biology, pp. 181-234. Humana Press, 2008. |
| 453. Accelerating molecular modeling applications with graphics processors. John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, and Klaus Schulten. Journal of Computational Chemistry, 28:2618-2640, 2007. |
| 444. Single-molecule experiments in vitro and in silico. Marcos Sotomayor and Klaus Schulten. Science, 316:1144-1148, 2007. |
| 432. Fluorescence-force spectroscopy maps two-dimensional reaction landscape of the Holliday junction. Sungchul Hohng, Ruobo Zhou, Michelle K. Nahas, Jin Yu, Klaus Schulten, David M. J. Lilley, and Taekjip Ha. Science, 318:279-283, 2007. |
| 406. Molecular dynamics simulations of the complete satellite tobacco mosaic virus. Peter L. Freddolino, Anton S. Arkhipov, Steven B. Larson, Alexander McPherson, and Klaus Schulten. Structure, 14:437-449, 2006. |
| 400. Scalable molecular dynamics with NAMD. James C. Phillips, Rosemary Braun, Wei Wang, James Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant Kale, and Klaus Schulten. Journal of Computational Chemistry, 26:1781-1802, 2005. |
| 398. Orientation discrimination of single stranded DNA inside the α-hemolysin membrane channel. Jerome Mathé, Aleksei Aksimentiev, David R. Nelson, Klaus Schulten, and Amit Meller. Proceedings of the National Academy of Sciences, USA, 102:12377-12382, 2005. |
| 389. In search of the hair-cell gating spring: Elastic properties of ankyrin and cadherin repeats. Marcos Sotomayor, David P. Corey, and Klaus Schulten. Structure, 13:669-682, 2005. |
| 388. Structural dynamics of the Lac repressor-DNA complex revealed by a multiscale simulation. Elizabeth Villa, Alexander Balaeff, and Klaus Schulten. Proceedings of the National Academy of Sciences, USA, 102:6783-6788, 2005. |
| 387. Imaging alpha-hemolysin with molecular dynamics: Ionic conductance, osmotic permeability and the electrostatic potential map. Aleksij Aksimentiev and Klaus Schulten. Biophysical Journal, 88:3745-3761, 2005. |
| 378. Collective diffusion model for water permeation through microscopic channels. Fangqiang Zhu, Emad Tajkhorshid, and Klaus Schulten. Physical Review Letters, 93:224501, 2004. (4 pages). |
| 377. Finite-size effect and wall polarization in a carbon nanotube channel. Deyu Lu, Yan Li, Slava V. Rotkin, Umberto Ravaioli, and Klaus Schulten. Nano Letters, 4:2383-2387, 2004. |
| 376. Fluctuation-driven molecular transport through an asymmetric membrane channel. Ioan Kosztin and Klaus Schulten. Physical Review Letters, 93:238102, 2004. (4 pages). |
| 371. Microscopic kinetics of DNA translocation through synthetic nanopores. Aleksij Aksimentiev, Jiunn Benjamin Heng, Gregory Timp, and Klaus Schulten. Biophysical Journal, 87:2086-2097, 2004. |
| 362. Multi-scale method for simulating protein-DNA complexes. Elizabeth Villa, Alexander Balaeff, L. Mahadevan, and Klaus Schulten. Multiscale Modeling and Simulation, 2:527-553, 2004. |
| 347. Structure and functional significance of mechanically unfolded fibronectin type III1 intermediates. Mu Gao, David Craig, Olivier Lequin, Iain D. Campbell, Viola Vogel, and Klaus Schulten. Proceedings of the National Academy of Sciences, USA, 100:14784-14789, 2003. |
| 341. Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore. Shigehiko Hayashi, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 85:1440-1449, 2003. |
| 337. Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics. Paul Grayson, Emad Tajkhorshid, and Klaus Schulten. Biophysical Journal, 85:36-48, 2003. |
| 329. Control of the selectivity of the aquaporin water channel family by global orientational tuning. Emad Tajkhorshid, Peter Nollert, Morten Ø. Jensen, Larry J. W. Miercke, Joseph O'Connell, Robert M. Stroud, and Klaus Schulten. Science, 296:525-530, 2002. |
| 320. Excitons in a photosynthetic light-harvesting system: A combined molecular dynamics, quantum chemistry and polaron model study. Ana Damjanovic, Ioan Kosztin, Ulrich Kleinekathoefer, and Klaus Schulten. Physical Review E, 65:031919, 2002. (24 pages). |
| 317. Photosynthetic apparatus of purple bacteria. Xiche Hu, Thorsten Ritz, Ana Damjanovic, Felix Autenrieth, and Klaus Schulten. Quarterly Reviews of Biophysics, 35:1-62, 2002. |
| 290. Elastic rod model of a DNA loop in the lac operon. Alexander Balaeff, L. Mahadevan, and Klaus Schulten. Physical Review Letters, 83:4900-4903, 1999. |
| 287. A model for photoreceptor-based magnetoreception in birds. Thorsten Ritz, Salih Adem, and Klaus Schulten. Biophysical Journal, 78:707-718, 2000. |
| 265. Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation. Hui Lu, Barry Isralewitz, André Krammer, Viola Vogel, and Klaus Schulten. Biophysical Journal, 75:662-671, 1998. |
| 179. Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid crystal-phases. Helmut Heller, Michael Schaefer, and Klaus Schulten. Journal of Physical Chemistry, 97:8343-8360, 1993. |
| 178. Topology representing networks. Thomas Martinetz and Klaus Schulten. Neural Networks, 7:507-522, 1994. |
| 167. Statistical-mechanical analysis of self-organization and pattern formation during the development of visual maps. Klaus Obermayer, Gary G. Blasdel, and Klaus Schulten. Physical Review A, 45:7568-7589, 1992. |
| 166. Coupling of protein motion to electron transfer in a photosynthetic reaction center: Investigating the low temperature behaviour in the framework of the spin-boson model. Dong Xu and Klaus Schulten. Chemical Physics, 182:91-117, 1994. |
| 159. Textbook: Neural Computation and Self-Organizing Maps: An Introduction. Helge Ritter, Thomas Martinetz, and Klaus Schulten. Addison-Wesley, New York, revised English edition, 1992. |
| 147. Edge enhancement by diffusion in microscopic magnetic resonance imaging. Benno Pütz, Daniel Barsky, and Klaus Schulten. Journal of Magnetic Resonance, 97:27-53, 1992. |
| 97. Associative memory with high information content. Joachim Buhmann, Robert Divko, and Klaus Schulten. Physical Review A, 39:2689-2692, 1989. |
| 94. A static ensemble approximation for stochastically modulated quantum systems. Robert Bittl and Klaus Schulten. Journal of Chemical Physics, 90:1794-1803, 1989. |
| 79. Electronic excitations in finite and infinite polyenes. Paul Tavan and Klaus Schulten. Physical Review B, 36:4337-4358, 1987. |
| 53. Noise induced limit cycles of the Bonhoeffer-van der Pol model of neural pulses. Herbert Treutlein and Klaus Schulten. Berichte der Bunsengesellschaft - Physical Chemistry Chemical Physics, 89:710-718, 1985. |
| 34. Magnetic field effects in chemistry and biology. Klaus Schulten. In J. Treusch, editor, Festkörperprobleme, volume 22, pp. 61-83. Vieweg, Braunschweig, 1982. |
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