|
| 482. Using VMD - an introductory tutorial.
Jen Hsin, Anton Arkhipov, Ying Yin, John E. Stone, and Klaus Schulten.
Current Protocols - Bioinformatics, 5:Unit 5.7, 2008.
(48 pages).
(PMC: 2972669) |
| 481. Adapting a message-driven parallel application to GPU-accelerated
clusters.
James C. Phillips, John E. Stone, and Klaus Schulten.
In SC '08: Proceedings of the 2008 ACM/IEEE Conference on
Supercomputing, Piscataway, NJ, USA, 2008. IEEE Press.
(9 pages).
|
| 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.
(PMC: 2897165) |
| 479. Molecular mechanisms of ligand recognition by NR3 subtype glutamate
receptors.
Yongneng Yao, Christopher B. Harrison, Peter L. Freddolino, Klaus Schulten, and
Mark L. Mayer.
EMBO Journal, 27:2158-2170, 2008.
(PMC: 2516888) |
| 478. Four-scale description of membrane sculpting by BAR domains.
Anton Arkhipov, Ying Yin, and Klaus Schulten.
Biophysical Journal, 95:2806-2821, 2008.
(PMC: 2527247) |
| 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.
(PMC: 2527265) |
| 476. The roles of pore ring and plug in the SecY protein-conducting
channel.
James Gumbart and Klaus Schulten.
Journal of General Physiology, 132:709-719, 2008.
(PMC: 2585858) |
| 475. Exploring the possibilities for radical pair effects in cryptochrome.
Ilia A. Solov'yov, Danielle Chandler, and Klaus Schulten.
Plant Signaling and Behavior, 3:676-677, 2008.
(PMC: 2634554) |
| 474. Flow induced structural transition in the β-switch region of
glycoprotein Ib.
Zhongzhou Chen, Jizhong Lou, Cheng Zhu, and Klaus Schulten.
Biophysical Journal, 95:1303-1313, 2008.
(PMC: 2479615) |
| 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.
(PMC: 2430731) |
| 472. Molecular models need to be tested: the case of a solar flares
discoidal HDL model.
Amy Y. Shih, Stephen G. Sligar, and Klaus Schulten.
Biophysical Journal, 94:L87-L89, 2008.
(PMC: 2397337) |
| 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.
|
| 470. Mechanism of signal propagation upon retinal isomerization: Insights
from molecular dynamics simulations of rhodopsin restrained by normal modes.
Basak Isin, Klaus Schulten, Emad Tajkhorshid, and Ivet Bahar.
Biophysical Journal, 95:789-803, 2008.
(PMC: 2440475) |
| 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.
(PMC: 2367204) |
| 468. GPU acceleration of cutoff pair potentials for molecular modeling
applications.
Christopher I. Rodrigues, David J. Hardy, John E. Stone, Klaus Schulten, and
Wen-mei W. Hwu.
In CF'08: Proceedings of the 2008 conference on Computing
Frontiers, pp. 273-282, New York, NY, USA, 2008. ACM.
|
| 467. The allosteric role of the Ca++ switch in adhesion and
elasticity of C-cadherin.
Marcos Sotomayor and Klaus Schulten.
Biophysical Journal, 94:4621-4633, 2008.
(PMC: 2397358) |
| 466. Length dependent optical effects in single walled carbon nanotubes.
Aruna Rajan, Michael S. Strano, Daniel A. Heller, Tobias Hertel, and Klaus
Schulten.
Journal of Physical Chemistry B, 112:6211-6213, 2008.
|
| 465. Molecular basis of fibrin clot elasticity.
Bernard Lim, Eric H. Lee, Marcos Sotomayor, and Klaus Schulten.
Structure, 16:449-459, 2008.
|
| 464. Understanding structure and function of membrane proteins using free
energy calculations.
Christophe Chipot and Klaus Schulten.
In Eva Pebay-Peyroula, editor, Biophysical analysis of membrane
proteins. Investigating structure and function, pp. 187-211. Wiley,
Weinheim, 2008.
|
| 463. Three dimensional architecture of membrane-embedded MscS in the
closed conformation.
Valeria Vasquez, Marcos Sotomayor, D. Marien Cortes, Benoit Roux, Klaus
Schulten, and Eduardo Perozo.
Journal of Molecular Biology, 378:55-70, 2008.
(PMC: 2703500) |
| 462. Molecular modeling of the structural properties and formation of
high-density lipoprotein particles.
Amy Y. Shih, Peter L. Freddolino, Anton Arkhipov, Stephen G. Sligar, and Klaus
Schulten.
In Scott Feller, editor, Current Topics in Membranes:
Computational Modeling of Membrane Bilayers, chapter 11, pp. 313-342.
Elsevier, 2008.
|
| 461. Application of residue-based and shape-based coarse graining to
biomolecular simulations.
Peter L. Freddolino, Anton Arkhipov, Amy Y. Shih, Ying Yin, Zhongzhou Chen, and
Klaus Schulten.
In Gregory A. Voth, editor, Coarse-Graining of Condensed Phase
and Biomolecular Systems, chapter 20, pp. 299-315. Chapman and Hall/CRC
Press, Taylor and Francis Group, 2008.
|
| 460. Finding gas migration pathways in proteins using implicit ligand
sampling.
Jordi Cohen, Kenneth W. Olsen, and Klaus Schulten.
In Robert K. Poole, editor, Globins and other NO-reactive
Proteins in Microbes, Plants and Invertebrates, volume 437 of Methods
in Enzymology, pp. 437-455. Elsevier, 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.
|
| 458. Diffusion of glycerol through Escherichia coli
aquaglyceroporin GlpF.
Jerome Henin, Emad Tajkhorshid, Klaus Schulten, and Christophe Chipot.
Biophysical Journal, 94:832-839, 2008.
(PMC: 2186255) |
| 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.
|
| 456. Managing biomolecular simulations in a grid environment with
NAMD-G.
Michelle Gower, Jordi Cohen, James Phillips, Richard Kufrin, and Klaus
Schulten.
In Proceedings of the 2006 TeraGrid Conference, 2006.
(7 pages).
|
| 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.
(PMC: 2000399) |
| 454. Modeling induction phenomena in intermolecular interactions with an
ab initio force field.
Francois Dehez, Janos G. Angyan, Ignacio Soteras Gutierrez, F. Javier Luque,
Klaus Schulten, and Christophe Chipot.
Journal of Chemical Theory and Computation, 3:1914-1926, 2007.
|
| 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.
|
| 452. Continuous fluorescence microphotolysis and correlation spectroscopy
using 4Pi microscopy.
Anton Arkhipov, Jana Hüve, Martin Kahms, Reiner Peters, and Klaus Schulten.
Biophysical Journal, 93:4006-4017, 2007.
(PMC: 2084225) |
| 451. Double stranded DNA dissociates into single strands when dragged
into a poor solvent.
Shuxun Cui, Jin Yu, Ferdinand Kühner, Klaus Schulten, and Hermann E. Gaub.
Journal of the American Chemical Society, 129:14710-14716,
2007.
|
| 450. Structural determinants of lateral gate opening in the protein
translocon.
James Gumbart and Klaus Schulten.
Biochemistry, 46:11147-11157, 2007.
|
| 449. O2 migration pathways are not conserved across proteins of a
similar fold.
Jordi Cohen and Klaus Schulten.
Biophysical Journal, 93:3591-3600, 2007.
(PMC: 2072066) |
| 448. How directional translocation is regulated in a DNA helicase motor.
Jin Yu, Taekjip Ha, and Klaus Schulten.
Biophysical Journal, 93:3783-3797, 2007.
(PMC: 2084242) |
| 447. Assembly of lipids and proteins into lipoprotein particles.
Amy Y. Shih, Anton Arkhipov, Peter L. Freddolino, Stephen G. Sligar, and Klaus
Schulten.
Journal of Physical Chemistry B, 111:11095-11104, 2007.
|
| 446. Cse1p binding dynamics reveal a novel binding pattern for FG-repeat
nucleoporins on transport receptors.
Timothy A. Isgro and Klaus Schulten.
Structure, 15:977-991, 2007.
|
| 445. Disassembly of nanodiscs with cholate.
Amy Y. Shih, Peter L. Freddolino, Stephen G. Sligar, and Klaus Schulten.
Nano Letters, 7:1692-1696, 2007.
|
| 444. Single-molecule experiments in vitro and in silico.
Marcos Sotomayor and Klaus Schulten.
Science, 316:1144-1148, 2007.
|
| 443. Secondary and tertiary structure elasticity of titin Z1Z2 and a
titin chain model.
Eric H. Lee, Jen Hsin, Olga Mayans, and Klaus Schulten.
Biophysical Journal, 93:1719-1735, 2007.
(PMC: 1948054) |
| 442. Exploring molecular oxygen pathways in Hanseluna Polymorpha
copper-containing amine oxidase.
Bryan J. Johnson, Jordi Cohen, Richard W. Welford, Arwen R. Pearson, Klaus
Schulten, Judith P. Klinman, and Carrie M. Wilmot.
Journal of Biological Chemistry, 282:17767-17776, 2007.
(PMC: 3081669) |
| 441. Sugar transport across lactose permease probed by steered molecular
dynamics.
Morten Ø. Jensen, Ying Yin, Emad Tajkhorshid, and Klaus Schulten.
Biophysical Journal, 93:92-102, 2007.
(PMC: 1914442) |
| 440. Magnetic field effects in Arabidopsis thaliana cryptochrome-1.
Ilia A. Solov'yov, Danielle E. Chandler, and Klaus Schulten.
Biophysical Journal, 92:2711-2726, 2007.
(PMC: 1831705) |
| 439. Association of nuclear pore FG-repeat domains to NTF2 import and
export complexes.
Timothy A. Isgro and Klaus Schulten.
Journal of Molecular Biology, 366:330-345, 2007.
|
| 438. Assembly of lipoprotein particles revealed by coarse-grained
molecular dynamics simulations.
Amy Y. Shih, Peter L. Freddolino, Anton Arkhipov, and Klaus Schulten.
Journal of Structural Biology, 157:579-592, 2007.
|
| 437. Ion conduction through MscS as determined by electrophysiology and
simulation.
Marcos Sotomayor, Valeria Vasquez, Eduardo Perozo, and Klaus Schulten.
Biophysical Journal, 92:886-902, 2007.
(PMC: 1779981) |
| 436. Exploring gas permeability of cellular membranes and membrane
channels with molecular dynamics.
Yi Wang, Jordi Cohen, Walter F. Boron, Klaus Schulten, and Emad Tajkhorshid.
Journal of Structural Biology, 157:534-544, 2007.
|
| 435. Charge delocalization in proton channels. I. The aquaporin
channels and proton blockage.
Hanning Chen, Boaz Ilan, Yujie Wu, Fangqiang Zhu, Klaus Schulten, and
Gregory A. Voth.
Biophysical Journal, 92:46-60, 2007.
(PMC: 1697834) |
| 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.
(PMC: 1697858) |
| 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.
|
| 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.
|
| 431. Sugar binding and protein conformational changes in lactose permease.
Ying Yin, Morten Ø. Jensen, Emad Tajkhorshid, and Klaus Schulten.
Biophysical Journal, 91:3972-3985, 2006.
(PMC: 1635680) |
| 430. How the headpiece hinge angle is opened: new insights into the
dynamics of integrin activation.
Eileen Puklin-Faucher, Mu Gao, Klaus Schulten, and Viola Vogel.
Journal of Cell Biology, 175:349-360, 2006.
(PMC: 2064575) |
| 429. Stability and dynamics of virus capsids described by coarse-grained
modeling.
Anton Arkhipov, Peter L. Freddolino, and Klaus Schulten.
Structure, 14:1767-1777, 2006.
|
| 428. Structural and functional investigations of biological catalysts for
optimization of solar-driven, H2 production systems.
Paul W. King, Drazenka Svedruzic, Jordi Cohen, Klaus Schulten, Michael Seibert,
and Maria L. Ghirardi.
In Lionel Vayssieres, editor, Solar Hydrogen and
Nanotechnology, volume 6340 of Proceedings of the Society of
Photo-Optical Instrumentation Engineers, pp. 259-267, 2006.
|
| 427. [FeFe]-hydrogenases and photobiological hydrogen production.
Maria L. Ghirardi, Jordi Cohen, Paul King, Klaus Schulten, Kwiseon Kim, and
Michael Seibert.
In Lionel Vayssieres, editor, Solar hydrogen and
Nanotechnology, volume 6340 of Proceedings of the Society of
Photo-Optical Instrumentation Engineers, pp. 253-258, 2006.
|
| 426. Dynamic switching mechanisms in LOV1 and LOV2 domains of plant
phototropins.
Peter L. Freddolino, Markus Dittrich, and Klaus Schulten.
Biophysical Journal, 91:3630-3639, 2006.
(PMC: 1630464) |
| 425. Mechanism of gating and ion conductivity of a possible tetrameric
pore in Aquaporin-1.
Jin Yu, Andrea J. Yool, Klaus Schulten, and Emad Tajkhorshid.
Structure, 14:1411-1423, 2006.
|
| 424. Dynamics of K+ ion conduction through Kv1.2.
Fatemeh Khalili-Araghi, Emad Tajkhorshid, and Klaus Schulten.
Biophysical Journal, 91:L72-L74, 2006.
(PMC: 1557577) |
| 423. Conformational equilibrium in alanine-rich peptides probed by
reversible stretching simulations.
Jerome Henin, Klaus Schulten, and Christophe Chipot.
Journal of Physical Chemistry B, 110:16718-16723, 2006.
|
| 422. PcrA helicase, a prototype ATP-driven molecular motor.
Markus Dittrich and Klaus Schulten.
Structure, 14:1345-1353, 2006.
|
| 421. Color tuning in rhodopsins: the mechanism for the spectral shift
between bacteriorhodopsin and sensory rhodopsin II.
Michael Hoffmann, Marius Wanko, Paul Strodel, Peter H. Koenig, Thomas
Frauenheim, Klaus Schulten, Walter Thiel, Emad Tajkhorshid, and Marcus
Elstner.
Journal of the American Chemical Society, 128:10808-10818,
2006.
|
| 420. Structure-based model of the stepping motor of PcrA helicase.
Jin Yu, Taekjip Ha, and Klaus Schulten.
Biophysical Journal, 91:2097-2114, 2006.
(PMC: 1557568) |
| 419. Molecular mechanisms of cellular mechanics.
Mu Gao, Marcos Sotomayor, Elizabeth Villa, Eric Lee, and Klaus Schulten.
Physical Chemistry - Chemical Physics, 8:3692-3706, 2006.
|
| 418. PcrA helicase, a molecular motor studied from the electronic to the
functional level.
Markus Dittrich, Jin Yu, and Klaus Schulten.
Topics in Current Chemistry, 268:319-347, 2006.
|
| 417. Coarse-grained molecular dynamics simulations of a rotating bacterial
flagellum.
Anton Arkhipov, Peter L. Freddolino, Katsumi Imada, Keiichi Namba, and Klaus
Schulten.
Biophysical Journal, 91:4589-4597, 2006.
(PMC: 1779929) |
| 416. Molecular dynamics study of MscL interactions with a curved lipid
bilayer.
Grischa Raphael Meyer, Justin Gullingsrud, Klaus Schulten, and Boris Martinac.
Biophysical Journal, 91:1630-1637, 2006.
(PMC: 1544281) |
| 415. Imaging the migration pathways for O2, CO, NO, and Xe
inside myoglobin.
Jordi Cohen, Anton Arkhipov, Rosemary Braun, and Klaus Schulten.
Biophysical Journal, 91:1844-1857, 2006.
(PMC: 1544290) |
| 414. Water-silica force field for simulating nanodevices.
Eduardo R. Cruz-Chu, Aleksei Aksimentiev, and Klaus Schulten.
Journal of Physical Chemistry B, 110:21497-21508, 2006.
(PMC: 2517990) |
| 413. Electrostatic properties of the mechanosensitive channel of small
conductance MscS.
Marcos Sotomayor, Trudy A. van der Straaten, Umberto Ravaioli, and Klaus
Schulten.
Biophysical Journal, 90:3496-3510, 2006.
(PMC: 1440732) |
| 412. Onset of anthrax toxin pore formation.
Mu Gao and Klaus Schulten.
Biophysical Journal, 90:3267-3279, 2006.
(PMC: 1432108) |
| 411. Modeling DNA loops using the theory of elasticity.
Alexander Balaeff, L. Mahadevan, and Klaus Schulten.
Physical Review E, 73:031919, 2006.
(23 pages).
|
| 410. Molecular dynamics studies of the archaeal translocon.
James Gumbart and Klaus Schulten.
Biophysical Journal, 90:2356-2367, 2006.
(PMC: 1403164) |
| 409. Mechanical strength of the titin Z1Z2/telethonin complex.
Eric H. Lee, Mu Gao, Nikos Pinotsis, Matthias Wilmanns, and Klaus Schulten.
Structure, 14:497-509, 2006.
|
| 408. The role of molecular modeling in bionanotechnology.
Deyu Lu, Aleksei Aksimentiev, Amy Y. Shih, Eduardo Cruz-Chu, Peter L.
Freddolino, Anton Arkhipov, and Klaus Schulten.
Physical Biology, 3:S40-S53, 2006.
(PMC: 2430730) |
| 407. Simulation of the electric response of DNA translocation through a
semiconductor nanopore-capacitor.
Maria E. Gracheva, Anlin Xiong, Aleksei Aksimentiev, Klaus Schulten, Gregory
Timp, and Jean-Pierre Leburton.
Nanotechnology, 17:622-633, 2006.
|
| 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.
|
| 405. Coarse grained protein-lipid model with application to lipoprotein
particles.
Amy Y. Shih, Anton Arkhipov, Peter L. Freddolino, and Klaus Schulten.
Journal of Physical Chemistry B, 110:3674-3684, 2006.
(PMC: 2535944) |
| 404. The electromechanics of DNA in a synthetic nanopore.
J. B. Heng, A. Aksimentiev, C. Ho, P. Marks, Y. V. Grinkova, S. Sligar,
K. Schulten, and G. Timp.
Biophysical Journal, 90:1098-1106, 2006.
(PMC: 1367096) |
| 403. Ion-nanotube terahertz oscillator.
Deyu Lu, Yan Li, Umberto Ravaioli, and Klaus Schulten.
Physical Review Letters, 95:246801, 2005.
(4 pages).
(PMC: 2492829) |
| 402. Zooming in on ATP hydrolysis in F1.
Markus Dittrich and Klaus Schulten.
Journal of Bioenergetics and Biomembranes, 37:441-444, 2005.
(PMC: 1509602) |
| 401. Binding dynamics of isolated nucleoporin repeat regions to
importin-β.
Timothy A. Isgro and Klaus Schulten.
Structure, 13:1869-1879, 2005.
|
| 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.
(PMC: 2486339)) |
| 399. Biomolecular modeling using parallel supercomputers.
Laxmikant V. Kale, Klaus Schulten, Robert D. Skeel, Glenn Martyna, Mark
Tuckerman, James C. Phillips, Sameer Kumar, and Gengbin Zheng.
In S. Aluru, editor, Handbook of computational molecular
biology, pp. 34.1-34.43. Taylor and Francis, 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.
(PMC: 1194911) |
| 397. Molecular dynamics simulations of proteins in lipid bilayers.
James Gumbart, Yi Wang, Alekseij Aksimentiev, Emad Tajkhorshid, and Klaus
Schulten.
Current Opinion in Structural Biology, 15:423-431, 2005.
(PMC: 2474857) |
| 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.
(PMC: 1366667) |
| 395. Beyond the gene chip.
J. B. Heng, A. Aksimentiev, C. Ho, V. Dimitrov, T. Sorsch, J. Miner,
W. Mansfield, K. Schulten, and G. Timp.
Bell Labs Technical Journal, 10:5-22, 2005.
|
| 394. Finding gas diffusion pathways in proteins: Application to O2
and H2 transport in CpI [FeFe]-hydrogenase and the role of packing
defects.
Jordi Cohen, Kwiseon Kim, Paul King, Michael Seibert, and Klaus Schulten.
Structure, 13:1321-1329, 2005.
|
| 393. When light falls in LOV: A quantum mechanical/molecular mechanical
study of photoexcitation in Phot-LOV1 of Chlamydomonas reinhardtii.
Markus Dittrich, Peter L. Freddolino, and Klaus Schulten.
Journal of Physical Chemistry B, 109:13006-13013, 2005.
(PMC: 2453334) |
| 392. What makes an aquaporin a glycerol channel: A comparative study of
AqpZ and GlpF.
Yi Wang, Klaus Schulten, and Emad Tajkhorshid.
Structure, 13:1107-1118, 2005.
|
| 391. Stretching DNA using an electric field in a synthetic nanopore.
J. B Heng, A. Aksimentiev, C. Ho, P. Marks, Y. V. Grinkova, S. Sligar,
K. Schulten, and G. Timp.
Nano Letters, 5:1883-1888, 2005.
(PMC: 2441849) |
| 390. Empirical nanotube model for biological applications.
Deyu Lu, Yan Li, Umberto Ravaioli, and Klaus Schulten.
Journal of Physical Chemistry B, 109:11461-11467, 2005.
(PMC: 2441848) |
| 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.
(PMC: 1100768) |
| 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.
(PMC: 1305609) |
| 386. Approaches to developing biological H2-photoproducing organisms
and processes.
Maria L. Ghirardi, Paul W. King, Matthew C. Posewitz, Pin Ching Maness,
Alexander Fedorov, Kwiseon Kim, Jordi Cohen, Klaus Schulten, and Michael
Seibert.
Biochemical Society Transactions, 33:70-72, 2005.
|
| 385. Molecular dynamics and experimental investigation of H2 and
O2 diffusion in [Fe]-hydrogenase.
Jordi Cohen, Kwiseon Kim, Matthew Posewitz, Maria L. Ghirardi, Klaus Schulten,
Michael Seibert, and Paul King.
Biochemical Society Transactions, 33:80-82, 2005.
(PMC: 2587414) |
| 384. Kinetic theory and simulation of single-channel water transport.
Emad Tajkhorshid, Fangqiang Zhu, and Klaus Schulten.
In S. Yip, editor, Handbook of Materials Modeling, Vol. I:
Methods and Models, pp. 1797-1822. Springer, Netherlands, 2005.
|
| 383. Screening of water dipoles inside finite-length armchair carbon
nanotubes.
Yan Li, Deyu Lu, Slava V. Rotkin, Klaus Schulten, and Umberto Ravaioli.
Journal of Computational Electronics, 4:161-165, 2005.
(PMC: 2572853) |
