Publications: Most Cited
65 papers with 65 or more citations:
| 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. |
| 348. Molecular biomimetics: Nanotechnology through biology. Mehmet Sarikaya, Candan Tamerler, Alex K. -Y. Jen, Klaus Schulten, and François Baneyx. Nature Materials, 2:577-585, 2003. |
| 329. Control of the selectivity of the aquaporin water channel family by global orientational tuning. Emad Tajkhorshid, Peter Nollert, Morten O. Jensen, Larry J. W. Miercke, Joseph O'Connell, Robert M. Stroud, and Klaus Schulten. Science, 296:525-530, 2002. |
| 328. Energetics of glycerol conduction through aquaglyceroporin GlpF. Morten O. Jensen, Sanghyun Park, Emad Tajkhorshid, and Klaus Schulten. Proceedings of the National Academy of Sciences, USA, 99:6731-6736, 2002. |
| 317. Photosynthetic apparatus of purple bacteria. Xiche Hu, Thorsten Ritz, Ana Damjanović, Felix Autenrieth, and Klaus Schulten. Quarterly Reviews of Biophysics, 35:1-62, 2002. |
| 307. Steered molecular dynamics and mechanical functions of proteins. Barry Isralewitz, Mu Gao, and Klaus Schulten. Current Opinion in Structural Biology, 11:224-230, 2001. |
| 300. The key event in force-induced unfolding of titin's immunoglobulin domains. Hui Lu and Klaus Schulten. Biophysical Journal, 79:51-65, 2000. |
| 287. A model for photoreceptor-based magnetoreception in birds. Thorsten Ritz, Salih Adem, and Klaus Schulten. Biophysical Journal, 78:707-718, 2000. |
| 286. Mechanical unfolding intermediates in titin modules. Piotr E. Marszalek, Hui Lu, Hongbin Li, Mariano Carrion-Vazquez, Andres F. Oberhauser, Klaus Schulten, and Julio M. Fernandez. Nature, 402:100-103, 1999. |
| 279. Steered molecular dynamics simulations of force-induced protein domain unfolding. Hui Lu and Klaus Schulten. PROTEINS: Structure, Function, and Genetics, 35:453-463, 1999. |
| 277. Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch. André Krammer, Hui Lu, Barry Isralewitz, Klaus Schulten, and Viola Vogel. Proceedings of the National Academy of Sciences, USA, 96:1351-1356, 1999. |
| 276. NAMD2: Greater scalability for parallel molecular dynamics. Laxmikant Kalé, Robert Skeel, Milind Bhandarkar, Robert Brunner, Attila Gursoy, Neal Krawetz, James Phillips, Aritomo Shinozaki, Krishnan Varadarajan, and Klaus Schulten. Journal of Computational Physics, 151:283-312, 1999. |
| 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. |
| 264. Energy transfer between carotenoids and bacteriochlorophylls in a light harvesting protein. Ana Damjanović, Thorsten Ritz, and Klaus Schulten. Physical Review E, 59:3293-3311, 1999. |
| 259. Architecture and function of the light harvesting apparatus of purple bacteria. Xiche Hu, Ana Damjanović, Thorsten Ritz, and Klaus Schulten. Proceedings of the National Academy of Sciences, USA, 95:5935-5941, 1998. |
| 252. Oxygen and proton pathways in cytochrome c oxidase. Ivo Hofacker and Klaus Schulten. PROTEINS: Structure, Function, and Genetics, 30:100-107, 1998. |
| 248. How nature harvests sunlight. Xiche Hu and Klaus Schulten. Physics Today, 50:28-34, 1997. |
| 241. Protein domain movements: Detection of rigid domains and visualization of hinges in comparisons of atomic coordinates. Willy Wriggers and Klaus Schulten. PROTEINS: Structure, Function, and Genetics, 29:1-14, 1997. |
| 240. Pigment organization and transfer of electronic excitation in the purple bacteria. Xiche Hu, Thorsten Ritz, Ana Damjanović, and Klaus Schulten. Journal of Physical Chemistry B, 101:3854-3871, 1997. |
| 236. Molecular dynamics study of unbinding of the avidin-biotin complex. Sergei Izrailev, Sergey Stepaniants, Manel Balsera, Yoshi Oono, and Klaus Schulten. Biophysical Journal, 72:1568-1581, 1997. |
| 225. The crystal structure of the light harvesting complex II (B800-850) from Rhodospirillum Molischianum. Juergen Koepke, Xiche Hu, Cornelia Muenke, Klaus Schulten, and Hartmut Michel. Structure, 4:581-597, 1996. |
| 222. VMD - Visual Molecular Dynamics. William Humphrey, Andrew Dalke, and Klaus Schulten. Journal of Molecular Graphics, 14:33-38, 1996. |
| 220. Principal component analysis and long time protein dynamics. Manel A. Balsera, Willy Wriggers, Yoshitsugu Oono, and Klaus Schulten. Journal of Physical Chemistry, 100:2567-2572, 1996. |
| 193. Molecular dynamics study of a membrane-water interface. Feng Zhou and Klaus Schulten. Journal of Physical Chemistry, 99:2194-2208, 1995. |
| 191. Models of orientation and ocular dominance columns in the visual cortex: A critical comparison. Edgar Erwin, Klaus Obermayer, and Klaus Schulten. Neural Computation, 7:425-468, 1995. |
| 185. Molecular dynamics study of bacteriorhodopsin and artificial pigments. William Humphrey, Ilya Logunov, Klaus Schulten, and Mordechai Sheves. Biochemistry, 33:3668-3678, 1994. |
| 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. |
| 173. Accelerated molecular dynamics simulation with the parallel fast multipole algorithm. John A. Board, Jr., J. W. Causey, James F. Leathrum, Jr., Andreas Windemuth, and Klaus Schulten. Chemical Physics Letters, 198:89-94, 1992. |
| 169. Molecular dynamics study of the proton pump cycle of bacteriorhodopsin. Feng Zhou, Andreas Windemuth, and Klaus Schulten. Biochemistry, 32:2291-2306, 1993. |
| 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. |
| 163. Self-organizing maps: Ordering, convergence properties and energy functions. Edgar Erwin, Klaus Obermayer, and Klaus Schulten. Biological Cybernetics, 67:47-55, 1992. |
| 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. |
| 149. "Neural gas" for vector quantization and its application to time-series prediction. Thomas M. Martinetz, Stanislav G. Berkovich, and Klaus Schulten. IEEE Transactions on Neural Networks, 4:558-569, 1993. |
| 146. Coupling of protein motion to electron transfer: Molecular dynamics and stochastic quantum mechanics study of photosynthetic reaction centers. Klaus Schulten and Markus Tesch. Chemical Physics, 158:421-446, 1991. |
| 141. Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions. Helmut Grubmüller, Helmut Heller, Andreas Windemuth, and Klaus Schulten. Molecular Simulation, 6:121-142, 1991. |
| 138. A principle for the formation of the spatial structure of cortical feature maps. Klaus Obermayer, Helge Ritter, and Klaus Schulten. Proceedings of the National Academy of Sciences, USA, 87:8345-8349, 1990. |
| 123. Chromophore-protein interactions and the function of the photosynthetic reaction center: A molecular dynamics study. Herbert Treutlein, Klaus Schulten, Axel Brünger, Martin Karplus, J. Deisenhofer, and H. Michel. Proceedings of the National Academy of Sciences, USA, 89:75-79, 1992. |
| 115. Development of feature detectors by self-organization: A network model. Jeanne Rubner and Klaus Schulten. Biological Cybernetics, 62:193-199, 1990. |
| 104. Topology-conserving maps for learning visuo-motor-coordination. Helge Ritter, Thomas Martinetz, and Klaus Schulten. Neural Networks, 2:159-168, 1989. |
| 97. Associative memory with high information content. Joachim Buhmann, Robert Divko, and Klaus Schulten. Physical Review A, 39:2689-2692, 1989. |
| 95. Convergence properties of Kohonen's topology conserving maps: Fluctuations, stability and dimension selection. Helge Ritter and Klaus Schulten. Biological Cybernetics, 60:59-71, 1988. |
| 79. Electronic excitations in finite and infinite polyenes. Paul Tavan and Klaus Schulten. Physical Review B, 36:4337-4358, 1987. |
| 74. The low-lying electronic excitations in long polyenes: A PPP-MRD-CI study. Paul Tavan and Klaus Schulten. Journal of Chemical Physics, 85:6602-6609, 1986. |
| 62. On the stationary state of Kohonen's self-organizing sensory mapping. Helge Ritter and Klaus Schulten. Biological Cybernetics, 54:99-106, 1986. |
| 46. The effect of protonation and electrical interactions on the stereochemistry of retinal Schiff bases. Paul Tavan, Klaus Schulten, and Dieter Oesterhelt. Biophysical Journal, 47:415-430, 1985. |
| 35. Linear polyene electronic structure and potential surfaces. Bruce S. Hudson, Bryan E. Kohler, and Klaus Schulten. In Edward C. Lim, editor, Excited States, volume 6, pp. 1-95. Academic Press, New York, 1982. |
| 34. Magnetic field effects in chemistry and biology. Klaus Schulten. In J. Treusch, editor, Festkörperprobleme, volume 22, pp. 61-83. Vieweg, Braunschweig, 1982. |
| 31. Dynamics of reactions involving diffusive barrier crossing. Klaus Schulten, Zan Schulten, and Attila Szabo. Journal of Chemical Physics, 74:4426-4432, 1981. |
| 28. First passage time approach to diffusion controlled reactions. Attila Szabo, Klaus Schulten, and Zan Schulten. Journal of Chemical Physics, 72:4350-4357, 1980. |
| 21. The 21Ag - 11Bu energy gap in the polyenes: An extended configuration interaction study. Paul Tavan and Klaus Schulten. Journal of Chemical Physics, 70:5407-5413, 1979. |
| 20. Modeling diffusive motion of ferredoxin and plastocyanin on the PSI domain of Procholorococcus marinus MIT9313. Aaron Chan, Emad Tajkhorshid, Zaida Luthey-Schulten, and Melih Sener. Journal of Physical Chemistry B, 129:52-70, 2025. |
| 16. Semiclassical description of electron spin motion in radicals including the effect of electron hopping. Klaus Schulten and Peter G. Wolynes. Journal of Chemical Physics, 68:3292-3297, 1978. |
| 15. The `phantom' photochemical singlet state of stilbene and its diphenylpolyene relative. Paul Tavan and Klaus Schulten. Chemical Physics Letters, 56:200-204, 1978. |
| 14. Electron transfer and spin exchange contributing to the magnetic field dependence of the primary photochemical reaction of bacterial photosynthesis. Hans-Joachim Werner, Klaus Schulten, and Albert Weller. Biochimica et Biophysica Acta, 502:255-268, 1978. |
| 13. A mechanism for the light-driven proton pump of Halobacterium halobium. Klaus Schulten and Paul Tavan. Nature, 272:85-86, 1978. |
| 12. Renormalized configuration interaction method for electron correlation in the excited states of polyenes. I. Ohmine, Martin Karplus, and Klaus Schulten. Journal of Chemical Physics, 68:2298-2318, 1978. |
| 11. Theory of the magnetic field modulated geminate recombination of radical ion pairs in polar solvents: Application to the pyrene-N,N-dimethylaniline system. Hans-Joachim Werner, Zan Schulten, and Klaus Schulten. Journal of Chemical Physics, 67:646-663, 1977. |
| 10. The generation, diffusion, spin motion, and recombination of radical pairs in solution in the nanosecond time domain. Zan Schulten and Klaus Schulten. Journal of Chemical Physics, 66:4616-4634, 1977. |
| 8. Magnetic field dependence of the geminate recombination of radical ion pairs in polar solvents. Klaus Schulten, H. Staerk, Albert Weller, Hans-Joachim Werner, and B. Nickel. Zeitschrift für Physikalische Chemie, NF101:371-390, 1976. |
| 5. Correlation effects in the spectra of polyenes. Klaus Schulten, I. Ohmine, and Martin Karplus. Journal of Chemical Physics, 64:4422-4441, 1976. |
| 4. Semiclassical approximation to 3j- and 6j-coefficients for quantum-mechanical coupling of angular momenta. Klaus Schulten and Roy G. Gordon. Journal of Mathematical Physics, 16:1971-1988, 1975. |
| 3. Exact recursive evaluation of 3j- and 6j-coefficients for quantum-mechanical coupling of angular momenta. Klaus Schulten and Roy G. Gordon. Journal of Mathematical Physics, 16:1961-1970, 1975. |
| 2. Possible influence of a low-lying "covalent" excited state on the absorption spectrum and photoisomerization of 11-cis retinal. Robert R. Birge, Klaus Schulten, and Martin Karplus. Chemical Physics Letters, 31:451-454, 1975. |
| 1. On the origin of a low-lying forbidden transition in polyenes and related molecules. Klaus Schulten and Martin Karplus. Chemical Physics Letters, 14:305-309, 1972. |
