|
| 696. Overall energy conversion efficiency of a photosynthetic vesicle.
Melih Sener, Johan Strümpfer, Abhishek Singharoy, C. Neil Hunter, and Klaus
Schulten.
eLife, 10.7554/eLife.09541, 2016.
(30 pages).
|
| 672. Atomic detail visualization of photosynthetic membranes with
GPU-accelerated ray tracing.
John E. Stone, Melih Sener, Kirby L. Vandivort, Angela Barragan, Abhishek
Singharoy, Ivan Teo, Joao V. Ribeiro, Barry Isralewitz, Bo Liu, Boon Chong
Goh, James C. Phillips, Craig MacGregor-Chatwin, Matthew P. Johnson, Lena F.
Kourkoutis, C. Neil Hunter, and Klaus Schulten.
Parallel Computing, 55:17-27, 2016.
|
| 649. Multiple-replica strategies for free-energy calculations in NAMD:
Multiple-walker adaptive biasing force and walker selection rules.
Jeffrey Comer, James Phillips, Klaus Schulten, and Christophe Chipot.
Journal of Chemical Theory and Computation, 10:5276-5285,
2014.
|
| 642. On the different types of vibrations interacting with electronic
excitations in the PE545 and FMO antenna systems.
Mortaza Aghtar, Johann Strümpfer, Carsten Olbrich, Klaus Schulten, and
Ulrich Kleinekathoefer.
Journal of Physical Chemistry Letters, 5:3131-3137, 2014.
|
| 631. Light harvesting by lamellar chromatophores in Rhodospirillum
Photometricum.
Danielle Chandler, Johan Strümpfer, Melih Sener, Simon Scheuring, and Klaus
Schulten.
Biophysical Journal, 106:2503-2510, 2014.
|
| 627. Integration of energy and electron transfer processes in the
photosynthetic membrane of Rhodobacter Sphaeroides.
Michaël L. Cartron, John D. Olsen, Melih Sener, Philip J. Jackson,
Amanda A. Brindley, Pu Qian, Mark J. Dickman, Graham J. Leggett, Klaus
Schulten, and C. Neil Hunter.
Biochimica et Biophysica Acta - Bioenergetics,
1837:1769-1780, 2014.
|
| 619. Structure, function, and quantum dynamics of pigment-protein
complexes.
Ioan Kosztin and Klaus Schulten.
In Masoud Mohseni, Yasser Omar, Greg Engel, and Martin B. Plenio,
editors, Quantum Effects in Biology, pp. 123-143. Cambridge University
Press, 2014.
|
| 611. The FMO complex in a glycerol-water mixture.
Mortaza Aghtar, Johan Strümpfer, Carsten Olbrich, Klaus Schulten, and
Ulrich Kleinekathoefer.
Journal of Physical Chemistry B, 117:7157-7163, 2013.
|
| 590. Excited state dynamics in photosynthetic reaction center and light
harvesting complex 1.
Johan Strümpfer and Klaus Schulten.
Journal of Chemical Physics, 137:065101, 2012.
(8 pages).
|
| 587. Open quantum dynamics calculations with the hierarchy equations of
motion on parallel computers.
Johan Strümpfer and Klaus Schulten.
Journal of Chemical Theory and Computation, 8:2808-2816, 2012.
|
| 576. How quantum coherence assists photosynthetic light harvesting.
Johan Strumpfer, Melih Sener, and Klaus Schulten.
Journal of Physical Chemistry Letters, 3:536-542, 2012.
|
| 570. Oligomerization state of photosynthetic core complexes is correlated
with the dimerization affinity of a transmembrane helix.
Jen Hsin, Loren LaPointe, Alla Kazy, Christophe Chipot, Alessandro Senes, and
Klaus Schulten.
Journal of the American Chemical Society, 133:14071-14081,
2011.
|
| 569. Theory and simulation of the environmental effects on FMO
electronic transitions.
Carsten Olbrich, Johan Strümpfer, Klaus Schulten, and Ulrich
Kleinekathoefer.
Journal of Physical Chemistry Letters, 2:1771-1776, 2011.
|
| 566. From atomistic modeling to excitation transfer and two-dimensional
spectra of the FMO light-harvesting complex.
Carsten Olbrich, Thomas L. C. Jansen, Jörg Liebers, Mortaza Aghtar, Johan
Strümpfer, Klaus Schulten, Jasper Knoester, and Ulrich Kleinekathoefer.
Journal of Physical Chemistry B, 115(26):8609-8621, 2011.
|
| 556. The effect of correlated bath fluctuations on exciton transfer.
Johan Strümpfer and Klaus Schulten.
Journal of Chemical Physics, 134:095102, 2011.
(9 pages).
|
| 549. Förster energy transfer theory as reflected in the structures of
photosynthetic light harvesting systems.
Melih Sener, Johan Strümpfer, Jen Hsin, Danielle Chandler, Simon Scheuring,
C. Neil Hunter, and Klaus Schulten.
ChemPhysChem, 12:518-531, 2011.
|
| 544. The light-harvesting apparatus in purple photosynthetic bacteria,
introduction to a quantum biological device.
Johan Strümpfer, Jen Hsin, Melih Sener, Danielle Chandler, and Klaus
Schulten.
In Benoit Roux, editor, Molecular Machines, chapter 2, pp.
19-48. World Scientific Press, 2011.
|
| 542. Quest for spatially correlated fluctuations in the FMO
light-harvesting complex.
Carsten Olbrich, Johan Strümpfer, Klaus Schulten, and Ulrich
Kleinekathoefer.
Journal of Physical Chemistry B, 115:758-764, 2011.
|
| 531. Energy transfer dynamics in an RC-LH1-PufX tubular photosynthetic
membrane.
Jen Hsin, Johan Strümpfer, Melih Sener, Pu Qian, C. Neil Hunter, and Klaus
Schulten.
New Journal of Physics, 12:085005, 2010.
(19 pages).
|
| 524. Photosynthetic vesicle architecture and constraints on efficient
energy harvesting.
Melih Sener, Johan Strumpfer, John A. Timney, Arvi Freiberg, C. Neil Hunter,
and Klaus Schulten.
Biophysical Journal, 99:67-75, 2010.
|
| 519. Self-assembly of photosynthetic membranes.
Jen Hsin, Danielle E. Chandler, James Gumbart, Christopher B. Harrison, Melih
Sener, Johan Strumpfer, and Klaus Schulten.
ChemPhysChem, 11:1154-1159, 2010.
|
| 514. Light harvesting complex II B850 excitation dynamics.
Johan Strümpfer and Klaus Schulten.
Journal of Chemical Physics, 131:225101, 2009.
(9 pages).
|
| 511. A glycophorin A-like framework for the dimerization of
photosynthetic core complexes.
Jen Hsin, Chris Chipot, and Klaus Schulten.
Journal of the American Chemical Society, 131:17096-17098,
2009.
|
| 507. Membrane curvature induced by aggregates of LH2s and monomeric
LH1s.
Danielle E. Chandler, James Gumbart, John D. Stack, Christophe Chipot, and
Klaus Schulten.
Biophysical Journal, 97:2978-2984, 2009.
|
| 499. Protein-induced membrane curvature investigated through molecular
dynamics flexible fitting.
Jen Hsin, James Gumbart, Leonardo G. Trabuco, Elizabeth Villa, Pu Qian, C. Neil
Hunter, and Klaus Schulten.
Biophysical Journal, 97:321-329, 2009.
|
| 491. Structural model and excitonic properties of the dimeric
RC-LH1-PufX complex from Rhodobacter Sphaeroides.
Melih K. Sener, Jen Hsin, Leonardo G. Trabuco, Elizabeth Villa, Pu Qian,
C. Neil Hunter, and Klaus Schulten.
Chemical Physics, 357:188-197, 2009.
|
| 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.
|
| 471. From atomic-level structure to supramolecular organization in the
photosynthetic unit of purple bacteria.
Melih K. Sener and Klaus Schulten.
In C. Neil Hunter, Fevzi Daldal, Marion C. Thurnauer, and J. Thomas
Beatty, editors, The Purple Phototrophic Bacteria, volume 28 of
Advances in Photosynthesis and Respiration, pp. 275-294. Springer, 2008.
|
| 455. Atomic level structural and functional model of a bacterial
photosynthetic membrane vesicle.
Melih K. Sener, John D. Olsen, C. Neil Hunter, and Klaus Schulten.
Proceedings of the National Academy of Sciences, USA,
104:15723-15728, 2007.
|
| 434. Possible pathway for ubiquinone shuttling in R. Rubrum
revealed by molecular dynamics simulation.
Andrew Aird, Jörg Wrachtrup, Klaus Schulten, and Carsten Tietz.
Biophysical Journal, 92:23-33, 2007.
|
| 433. Molecular dynamics methods for bioelectronic systems in
photosynthesis.
Ioan Kosztin and Klaus Schulten.
In Thijs Aartsma and Joerg Matysik, editors, Biophysical
Techniques in Photosynthesis II, volume 26 of Advances in
Photosynthesis and Respiration, pp. 445-464. Springer, Dordrecht, 2008.
|
| 396. Comparison of the light harvesting networks of plant and
cyanobacterial photosystem I.
Melih K. Sener, Craig Jolley, Adam Ben-Shem, Petra Fromme, Nathan Nelson,
Roberta Croce, and Klaus Schulten.
Biophysical Journal, 89:1630-1642, 2005.
|
| 382. Physical principles of efficient excitation transfer in light
harvesting.
Melih Sener and Klaus Schulten.
In David L. Andrews, editor, Energy Harvesting Materials, pp.
1-26. World Scientific, Singapore, 2005.
|
| 375. Role of water in transient cytochrome c2 docking.
Felix Autenrieth, Emad Tajkhorshid, Klaus Schulten, and Zaida Luthey-Schulten.
Journal of Physical Chemistry B, 108:20376-20387, 2004.
|
| 359. Excitation migration in trimeric cyanobacterial photosystem I.
Melih K. Sener, Sanghyun Park, Deyu Lu, Ana Damjanović, Thorsten Ritz,
Petra Fromme, and Klaus Schulten.
Journal of Chemical Physics, 120:11183-11195, 2004.
|
| 331. Robustness and optimality of light harvesting in cyanobacterial
photosystem I.
Melih K. Sener, Deyu Lu, Thorsten Ritz, Sanghyun Park, Petra Fromme, and
Klaus Schulten.
Journal of Physical Chemistry B, 106:7948-7960, 2002.
|
| 320. Excitons in a photosynthetic light-harvesting system: A combined
molecular dynamics, quantum chemistry and polaron model study.
Ana Damjanović, 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 Damjanović, Felix Autenrieth, and Klaus
Schulten.
Quarterly Reviews of Biophysics, 35:1-62, 2002.
|
| 316. The quantum physics of photosynthesis.
Thorsten Ritz, Ana Damjanović, and Klaus Schulten.
ChemPhysChem, 3:243-248, 2002.
|
| 315. A general random matrix approach to account for the effect of static
disorder on the spectral properties of light harvesting systems.
Melih Sener and Klaus Schulten.
Physical Review E, 65:031916, 2002.
(12 pages).
|
| 311. Kinetics of excitation migration and trapping in the photosynthetic
unit of purple bacteria.
Thorsten Ritz, Sanghyun Park, and Klaus Schulten.
Journal of Physical Chemistry B, 105:8259-8267, 2001.
|
| 306. Physik der Photosynthese.
Thorsten Ritz and Klaus Schulten.
Physikalische Blaetter, 57:49-53, 2001.
|
| 301. Efficient light harvesting through carotenoids.
Thorsten Ritz, Ana Damjanović, Klaus Schulten, Jian-Ping Zhang, and
Yasushi Koyama.
Photosynthesis Research, 66:125-144, 2000.
|
| 297. Electron transfer: Exploiting thermal motion.
Klaus Schulten.
Science, 290:61-62, 2000.
|
| 296. Excitation transfer in the peridinin-chlorophyll-protein of
Amphidinium Carterae.
Ana Damjanović, Thorsten Ritz, and Klaus Schulten.
Biophysical Journal, 79:1695-1705, 2000.
|
| 288. Excitation energy trapping by the reaction center of
Rhodobacter Sphaeroides.
Ana Damjanović, Thorsten Ritz, and Klaus Schulten.
Int. J. Quantum Chem., 77:139-151, 2000.
|
| 283. Steered molecular dynamics simulation of the Rieske subunit motion
in the cytochrome bc1 complex.
Sergei Izrailev, Antony R. Crofts, Edward A. Berry, and Klaus Schulten.
Biophysical Journal, 77:1753-1768, 1999.
|
| 271. Light-harvesting and photoprotection by carotenoids:
Structure-based calculations for photosynthetic antenna systems.
Thorsten Ritz, Ana Damjanović, and Klaus Schulten.
In G. Garab, editor, Photosynthesis: Mechanisms and Effects
(Proceedings of the XIth International Congress on Photosynthesis),
volume 1, pp. 487-490, Dordrecht, 1998. Kluwer Academic Publications.
|
| 269. Electronic excitations in aggregates of bacteriochlorophylls.
Marshall G. Cory, Michael C. Zerner, Xiche Hu, and Klaus Schulten.
Journal of Physical Chemistry B, 102:7640-7650, 1998.
|
| 268. From simplicity to complexity and back: Function, architecture and
mechanism of light harvesting systems in photosynthetic bacteria.
Klaus Schulten.
In H. Frauenfelder, J. Deisenhofer, and P. G. Wolynes, editors,
Simplicity and Complexity in Proteins and Nucleic Acids, pp. 227-253,
Berlin, 1999. Dahlem University Press.
(pdf available from author upon request).
|
| 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.
|
| 263. A model for the light-harvesting complex I (B875) of
Rhodobacter Sphaeroides.
Xiche Hu and Klaus Schulten.
Biophysical Journal, 75:683-694, 1998.
|
| 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.
|
| 254. Excitons and excitation transfer in the photosynthetic unit of purple
bacteria.
Thorsten Ritz, Xiche Hu, Ana Damjanović, and Klaus Schulten.
Journal of Luminescence, 76-77:310-321, 1998.
|
| 248. How nature harvests sunlight.
Xiche Hu and Klaus Schulten.
Physics Today, 50:28-34, 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.
|
| 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.
|
| 208. Predicting the structure of the light-harvesting complex II of
Rhodospirillum Molischianum.
Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Jürgen Koepke, and Hartmut
Michel.
Protein Science, 4:1670-1682, 1995.
|
| 203. Prediction of the structure of an integral membrane protein-the
light-harvesting complex II of Rhodospirillum Molischianum.
Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Jürgen Koepke, and Hartmut
Michel.
In K.M. Merz and B. Roux, editors, Biological Membranes: A
Molecular Perspective From Computation and Experiment, pp. 503-533.
Birkhäuser, Cambridge, MA, 1996.
|
| 202. Knowledge-based structure prediction of the light-harvesting complex
II of Rhodospirillum Molischianum.
Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Jürgen Koepke, and Hartmut
Michel.
In P. M. Pardalos, D. Shalloway, and G. Xue, editors, Global
Minimization of Nonconvex Energy Functions: Molecular Conformation and
Protein Folding, pp. 97-122. American Mathematical Society, Providence,
R.I., 1996.
|
| 176. Multi-mode coupling of protein motion to electron transfer in the
photosynthetic reaction center: Spin-boson theory based on a classical
molecular dynamics simulation.
Dong Xu and Klaus Schulten.
In J. Breton and A. Vermeglio, editors, The Photosynthetic
Bacterial Reaction Center: II. Structure, Spectroscopy and Dynamics,
NATO Science Series A: Life Sciences, pp. 301-312. Plenum Press, New
York, 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.
|
| 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.
|
| 134. Molecular dynamics simulation of electron transfer in proteins:
Theory and application to QA → QB transfer in the
photosynthetic reaction center.
Marco Nonella and Klaus Schulten.
Journal of Physical Chemistry, 95:2059-2067, 1991.
|
| 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.
|
| 101. Molecular dynamics simulation of the primary processes in the
Photosynthetic reaction center of Rhodopseudomonas
viridis.
Herbert Treutlein, Christoph Niedermeier, Klaus Schulten, J. Deisenhofer,
H. Michel, Axel Brünger, and Martin Karplus.
In A. Pullman et al., editors, Transport Through Membranes:
Carriers, Channels and Pumps, pp. 513-525. Kluwer Academic Publishers,
Dordrecht, 1988.
|
| 91. Electrostatic control of electron transfer in the photosynthetic
reaction center of Rhodopseudomonas viridis.
Herbert Treutlein, Klaus Schulten, Christoph Niedermeier, J. Deisenhofer,
H. Michel, and D. Devault.
In J. Breton and A. Verméglio, editors, The Photosynthetic
Bacterial Reaction Center: Structure and Dynamics, volume 149 of NATO
Science Series A: Life Sciences, pp. 369-377. Plenum, New York, 1988.
|
| 90. Molecular dynamics simulation of the primary processes in the
photosynthetic reaction center of Rhodopseudomonas
viridis.
Herbert Treutlein, Klaus Schulten, J. Deisenhofer, H. Michel, Axel Brünger,
and Martin Karplus.
In J. Breton and A. Verméglio, editors, The Photosynthetic
Bacterial Reaction Center: Structure and Dynamics, volume 149 of NATO
Science Series A: Life Sciences, pp. 139-150. Plenum, New York, 1988.
|
| 84. Spectroscopic determinants in the reaction center of
Rhodopseudomonas viridis.
Joseph Eccles, Barry Honig, and Klaus Schulten.
Biophysical Journal, 53:137-144, 1988.
|
| 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.
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