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1

Molecular biomimetics: nanotechnology through biology

Sarikaya, Mehmet, Tamerler, Candan, Jen, Alex K. -Y., Schulten, Klaus, Baneyx, François

Journal:

Nature Materials

Year:

2003

Language:

english

File:

PDF, 2.21 MB

english, 2003

2

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten

Journal:

Journal of Molecular Graphics

Year:

1996

Language:

english

File:

PDF, 652 KB

english, 1996

3

Topology representing networks

Thomas Martinetz, Klaus Schulten

Journal:

Neural Networks

Year:

1994

Language:

english

File:

PDF, 1.94 MB

english, 1994

4

Scalable molecular dynamics with NAMD

James C. Phillips, Rosemary Braun, Wei Wang, James Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant Kalé, Klaus Schulten

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 977 KB

english, 2005

5

Acuity of a Cryptochrome and Vision-Based Magnetoreception System in Birds

Solov'yov, Ilia A., Mouritsen, Henrik, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 692 KB

english, 2010

6

The Quantum Physics of Photosynthesis

Thorsten Ritz, Ana Damjanović, Klaus Schulten

Journal:

Year:

2002

Language:

english

File:

PDF, 174 KB

english, 2002

7

A Model for Photoreceptor-Based Magnetoreception in Birds

Ritz, Thorsten, Adem, Salih, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2000

Language:

english

File:

PDF, 307 KB

english, 2000

8

QwikMD - Gateway for Easy Simulation with VMD and NAMD

Ribeiro, João Vieira, Bernardi, Rafael C., Rudack, Till, Schulten, Klaus, Tajkhorshid, Emad

Journal:

Biophysical Journal

Year:

2018

Language:

english

File:

PDF, 59 KB

english, 2018

9

Förster Energy Transfer Theory as Reflected in the Structures of Photosynthetic Light-Harvesting Systems

Dr. Melih Şener, Johan Strümpfer, Dr. Jen Hsin, Danielle Chandler, Dr. Simon Scheuring, Prof. C. Neil Hunter, Prof. Klaus Schulten

Journal:

Year:

2011

Language:

english

File:

PDF, 1.41 MB

english, 2011

10

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, Klaus Schulten

Journal:

Journal of Computational Physics

Year:

1999

Language:

english

File:

PDF, 197 KB

english, 1999

11

[The IMA Volumes in Mathematics and its Applications] Mathematical Approaches to Biomolecular Structure and Dynamics Volume 82 || Hamiltonian Formulations and Symmetries in Rod Mechanics

Mesirov, Jill P., Schulten, Klaus, Sumners, De Witt

Year:

1996

Language:

english

File:

PDF, 4.43 MB

english, 1996

12

Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes

Goh, Boon Chong, Hadden, Jodi A., Bernardi, Rafael C., Singharoy, Abhishek, McGreevy, Ryan, Rudack, Till, Cassidy, C. Keith, Schulten, Klaus

Journal:

Annual Review of Biophysics

Year:

2016

Language:

english

File:

PDF, 4.97 MB

english, 2016

13

Investigating a back door mechanism of actin phosphate release by steered molecular dynamics

Willy Wriggers, Klaus Schulten

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1999

Language:

english

File:

PDF, 591 KB

english, 1999

14

Steered molecular dynamics simulations of force-induced protein domain unfolding

Hui Lu, Klaus Schulten

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1999

Language:

english

File:

PDF, 322 KB

english, 1999

15

Molecular dynamics simulation on a network of workstations using a machine-independent parallel programming language

Mark A. Shifman, Andreas Windemuth, Klaus Schulten, Perry L. Miller

Journal:

Computers and Biomedical Research

Year:

1992

Language:

english

File:

PDF, 759 KB

english, 1992

16

Effect of noise and perturbations on limit cycle systems

Christian Kurrer, Klaus Schulten

Journal:

Physica D: Nonlinear Phenomena

Year:

1991

Language:

english

File:

PDF, 652 KB

english, 1991

17

Predicting the structure of the light-harvesting complex II of rhodospirillum molischianum

Xiche Hu, Dong Xu, Kenneth Hamer, Klaus Schulten, Juergen Koepke, Hartmut Michel

Journal:

Protein Science

Year:

1995

Language:

english

File:

PDF, 5.81 MB

english, 1995

18

GPU-accelerated molecular modeling coming of age

John E. Stone, David J. Hardy, Ivan S. Ufimtsev, Klaus Schulten

Journal:

Journal of Molecular Graphics and Modelling

Year:

2010

Language:

english

File:

PDF, 365 KB

english, 2010

19

10.1038/47089

Fernandez, Julio M., Marszalek, Piotr E., Lu, Hui, Li, Hongbin, Carrion-Vazquez, Mariano, Oberhauser, Andres F., Schulten, Klaus

Journal:

Year:

1999

Language:

english

File:

PDF, 167 KB

english, 1999

20

10.1038/47083

Fernandez, Julio M., Marszalek, Piotr E., Lu, Hui, Li, Hongbin, Carrion-Vazquez, Mariano, Oberhauser, Andres F., Schulten, Klaus

Journal:

Year:

1999

Language:

english

File:

PDF, 260 KB

english, 1999

21

Challenges in protein-folding simulations

Freddolino, Peter L., Harrison, Christopher B., Liu, Yanxin, Schulten, Klaus

Journal:

Year:

2010

Language:

english

File:

PDF, 2.11 MB

english, 2010

22

GPU/CPU Algorithm for Generalized Born/Solvent-Accessible Surface Area Implicit Solvent Calculations

Tanner, David E., Phillips, James C., Schulten, Klaus

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 2.88 MB

english, 2012

23

Structural Basis for Cooperative DNA Binding by CAP and Lac Repressor

Alexander Balaeff, L. Mahadevan, Klaus Schulten

Journal:

Year:

2004

Language:

english

File:

PDF, 543 KB

english, 2004

24

Transport-Related Structures and Processes of the Nuclear Pore Complex Studied through Molecular Dynamics

Lingling Miao, Klaus Schulten

Journal:

Year:

2009

Language:

english

File:

PDF, 2.21 MB

english, 2009

25

The crystal structure of the light-harvesting complex II (B800–850) from Rhodospirillum molischianum

Juergen Koepke, Xiche Hu, Cornelia Muenke, Klaus Schulten, Hartmut Michel

Journal:

Year:

1996

Language:

english

File:

PDF, 1.98 MB

english, 1996

26

Excited state dynamics in photosynthetic reaction center and light harvesting complex 1

Strümpfer, Johan, Schulten, Klaus

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 836 KB

english, 2012

27

A Biomagnetic Sensory Mechanism Based on Magnetic Field Modulated Coherent Electron Spin Motion

Schulten, Klaus, Swenberg, Charles E., Weller, Albert

Journal:

Zeitschrift für Physikalische Chemie

Year:

1978

Language:

english

File:

PDF, 554 KB

english, 1978

28

Water and Proton Conduction through Carbon Nanotubes as Models for Biological Channels

Zhu, Fangqiang, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2003

Language:

english

File:

PDF, 882 KB

english, 2003

29

Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels

Jensen, Morten Ø., Tajkhorshid, Emad, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2003

Language:

english

File:

PDF, 803 KB

english, 2003

30

ATP Hydrolysis in the βTP and βDP Catalytic Sites of F1-ATPase

Dittrich, Markus, Hayashi, Shigehiko, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 313 KB

english, 2004

31

First passage time approach to diffusion controlled reactions

Szabo, Attila, Schulten, Klaus, Schulten, Zan

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 574 KB

english, 1980

32

Sizing DNA Using a Nanometer-Diameter Pore

Heng, Jiunn B., Ho, Chuen, Kim, Taekyung, Timp, Rolf, Aksimentiev, Aleksij, Grinkova, Yelena V., Sligar, Stephen, Schulten, Klaus, Timp, Gregory

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 325 KB

english, 2004

33

Photosynthetic apparatus of purple bacteria

Hu, Xiche, Ritz, Thorsten, Damjanovic, Ana, Autenrieth, Felix, Schulten, Klaus

Journal:

Quarterly Reviews of Biophysics

Year:

2002

Language:

english

File:

PDF, 2.03 MB

english, 2002

34

Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid crystal phase

Heller, Helmut, Schaefer, Michael, Schulten, Klaus

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 4.03 MB

english, 1993

35

Computational Investigation of DNA Detection Using Graphene Nanopores

Sathe, Chaitanya, Zou, Xueqing, Leburton, Jean-Pierre, Schulten, Klaus

Journal:

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

36

Pigment Organization and Transfer of Electronic Excitation in the Photosynthetic Unit of Purple Bacteria

Hu, Xiche, Ritz, Thorsten, Damjanović, Ana, Schulten, Klaus

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 480 KB

english, 1997

37

Theory and Simulation of the Environmental Effects on FMO Electronic Transitions

Olbrich, Carsten, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 2.62 MB

english, 2011

38

The effect of correlated bath fluctuations on exciton transfer

Strümpfer, Johan, Schulten, Klaus

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 809 KB

english, 2011

39

Rapid parameterization of small molecules using the force field toolkit

Mayne, Christopher G., Saam, Jan, Schulten, Klaus, Tajkhorshid, Emad, Gumbart, James C.

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 1.12 MB

english, 2013

40

Electronic excitations in finite and infinite polyenes

Tavan, Paul, Schulten, Klaus

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 1.05 MB

english, 1987

41

[Physics of Neural Networks] Models of Neural Networks III || Bayesian Methods for Backpropagation Networks

Domany, Eytan, van Hemmen, J. Leo, Schulten, Klaus

Year:

1996

Language:

english

File:

PDF, 4.57 MB

english, 1996

42

Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD

Jiang, Wei, Phillips, James C., Huang, Lei, Fajer, Mikolai, Meng, Yilin, Gumbart, James C., Luo, Yun, Schulten, Klaus, Roux, Benoît

Journal:

Computer Physics Communications

Year:

2014

Language:

english

File:

PDF, 1.49 MB

english, 2014

43

Computational Microscopy of the Role of Protonable Surface Residues in Nanoprecipitation Oscillations

Cruz-Chu, Eduardo R., Schulten, Klaus

Journal:

Year:

2010

Language:

english

File:

PDF, 3.16 MB

english, 2010

44

Assembly of Lipids and Proteins into Lipoprotein Particles

Shih, Amy Y., Arkhipov, Anton, Freddolino, Peter L., Sligar, Stephen G., Schulten, Klaus

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 1.50 MB

english, 2007

45

Separation of photo-induced radical pair in cryptochrome to a functionally critical distance

Solov'yov, Ilia A., Domratcheva, Tatiana, Schulten, Klaus

Journal:

Scientific Reports

Year:

2014

Language:

english

File:

PDF, 888 KB

english, 2014

46

Excitons in a photosynthetic light-harvesting system: A combined molecular dynamics, quantum chemistry, and polaron model study

Damjanović, Ana, Kosztin, Ioan, Kleinekathöfer, Ulrich, Schulten, Klaus

Journal:

Physical Review E

Year:

2002

Language:

english

File:

PDF, 480 KB

english, 2002

47

Physik der Photosynthese: Wie Bakterien die Quantenphysik ausnutzen, um effizient Photosynthese zu betreiben

Ritz, Thorsten, Schulten, Klaus

Journal:

Year:

2001

Language:

german

File:

PDF, 1.65 MB

german, 2001

48

Quantum theory of angular momentum coupling in reactive collisions

Schulten, Klaus

Journal:

The Journal of Chemical Physics

Year:

1976

Language:

english

File:

PDF, 1.66 MB

english, 1976

49

Electronic detection of dsDNA transition from helical to zipper conformation using graphene nanopores

Sathe, Chaitanya, Girdhar, Anuj, Leburton, Jean-Pierre, Schulten, Klaus

Journal:

Year:

2014

Language:

english

File:

PDF, 962 KB

english, 2014

50

Generalized moment expansion of dynamic correlation functions in finite Ising systems

Bauer, Hans-Ulrich, Schulten, Klaus, Nadler, Walter

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 642 KB

english, 1988