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Klaus Schulten

This is a preview profile on BiomedExperts - the first literature-based scientific social network. It brings the right researchers together and allows them to collaborate online. Collexis and Dell provide the BiomedExperts network of +1.5 Million pre-calculated profiles free of charge to researchers worldwide.

Research Profile (preview)

Concepts & Ideas

Activities & Behaviors

Computer Simulation

Chemicals & Drugs

Anatomy

Lipid Bilayers

Phenomena

Occupations

Genes & Molecular Sequences

Amino Acid Sequence

Physiology

Protein Folding

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Co-Publications
Name
25
Tajkhorshid, Emad
15
Freddolino, Peter
13
Aksimentiev, Aleksij
13
Arkhipov, Anton
9
Gumbart, James
9
Sligar, Stephen
8
Sotomayor, Marcos
8
Shih, Amy
8
Vogel, Viola
7
Gao, Mu
6
Damjanovic, Ana
6
Dittrich, Markus
6
Isralewitz, B
6
Lu, H
6
Zhu, Fangqiang

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Publications

TOP 3
Arkhipov Anton; Yin Ying; Schulten Klaus
Membrane-bending mechanism of amphiphysin N-BAR domains.
Gumbart James; Trabuco Leonardo G; Schreiner Eduard; Villa Elizabeth; Schulten Klaus
Regulation of the protein-conducting channel by a bound ribosome.
Freddolino Peter L; Schulten Klaus
Common structural transitions in explicit-solvent simulations of villin headpiece folding.

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All Publications

2009: Arkhipov Anton; Yin Ying; Schulten Klaus
Membrane-bending mechanism of amphiphysin N-BAR domains.
Biophysical journal 2009;97(10):2727-35.
2009: Gumbart James; Trabuco Leonardo G; Schreiner Eduard; Villa Elizabeth; Schulten Klaus
Regulation of the protein-conducting channel by a bound ribosome.
Structure (London, England : 1993) 2009;17(11):1453-64.
2009: Freddolino Peter L; Schulten Klaus
Common structural transitions in explicit-solvent simulations of villin headpiece folding.
Biophysical journal 2009;97(8):2338-47.
2009: Lee Eric H; Hsin Jen; Sotomayor Marcos; Comellas Gemma; Schulten Klaus
Discovery through the computational microscope.
Structure (London, England : 1993) 2009;17(10):1295-306.
2009: Arkhipov Anton; Roos Wouter H; Wuite Gijs J L; Schulten Klaus
Elucidating the mechanism behind irreversible deformation of viral capsids.
Biophysical journal 2009;97(7):2061-9.
2009: Shih Amy Y; Sligar Stephen G; Schulten Klaus
Maturation of high-density lipoproteins.
Journal of the Royal Society, Interface / the Royal Society 2009;6(39):863-71.
2009: Trabuco Leonardo G; Villa Elizabeth; Schreiner Eduard; Harrison Christopher B; Schulten Klaus
Molecular dynamics flexible fitting: a practical guide to combine cryo-electron microscopy and X-ray crystallography.
Methods (San Diego, Calif.) 2009;49(2):174-80.
2009: Hsin Jen; Gumbart James; Trabuco Leonardo G; Villa Elizabeth; Qian Pu; Hunter C Neil; Schulten Klaus
Protein-induced membrane curvature investigated through molecular dynamics flexible fitting.
Biophysical journal 2009;97(1):321-9.
2009: Yin Ying; Arkhipov Anton; Schulten Klaus
Simulations of membrane tubulation by lattices of amphiphysin N-BAR domains.
Structure (London, England : 1993) 2009;17(6):882-92.
2009: Freddolino Peter L; Park Sanghyun; Roux Benoît; Schulten Klaus
Force field bias in protein folding simulations.
Biophysical journal 2009;96(9):3772-80.
2009: Maruthamuthu Venkat; Schulten Klaus; Leckband Deborah
Elasticity and rupture of a multi-domain neural cell adhesion molecule complex.
Biophysical journal 2009;96(8):3005-14.
2009: Khalili-Araghi Fatemeh; Gumbart James; Wen Po-Chao; Sotomayor Marcos; Tajkhorshid Emad; Schulten Klaus
Molecular dynamics simulations of membrane channels and transporters.
Current opinion in structural biology 2009;19(2):128-37.
2009: Miao Lingling; Schulten Klaus
Transport-related structures and processes of the nuclear pore complex studied through molecular dynamics.
Structure (London, England : 1993) 2009;17(3):449-59.
2009: Arkhipov Anton; Schulten Klaus
Limits for reduction of effective focal volume in multiple-beam light microscopy.
Optics express 2009;17(4):2861-70.
2009: Villa Elizabeth; Sengupta Jayati; Trabuco Leonardo G; LeBarron Jamie; Baxter William T; Shaikh Tanvir R; Grassucci Robert A; Nissen Poul; Ehrenberg Måns; Schulten Klaus; Frank Joachim
Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis.
Proceedings of the National Academy of Sciences of the United States of America 2009;106(4):1063-8.
2008: Gumbart James; Schulten Klaus
The roles of pore ring and plug in the SecY protein-conducting channel.
The Journal of general physiology 2008;132(6):709-19.
2008: Chandler Danielle E; Hsin Jen; Harrison Christopher B; Gumbart James; Schulten Klaus
Intrinsic curvature properties of photosynthetic proteins in chromatophores.
Biophysical journal 2008;95(6):2822-36.
2008: Arkhipov Anton; Yin Ying; Schulten Klaus
Four-scale description of membrane sculpting by BAR domains.
Biophysical journal 2008;95(6):2806-21.
2008: Vásquez Valeria; Sotomayor Marcos; Cordero-Morales Julio; Schulten Klaus; Perozo Eduardo
A structural mechanism for MscS gating in lipid bilayers.
Science (New York, N.Y.) 2008;321(5893):1210-4.
2008: Yao Yongneng; Harrison Chris B; Freddolino Peter L; Schulten Klaus; Mayer Mark L
Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
The EMBO journal 2008;27(15):2158-70.
2008: Chen Zhongzhou; Lou Jizhong; Zhu Cheng; Schulten Klaus
Flow-induced structural transition in the beta-switch region of glycoprotein Ib.
Biophysical journal 2008;95(3):1303-13.
2008: Shih Amy Y; Sligar Stephen G; Schulten Klaus
Molecular models need to be tested: the case of a solar flares discoidal HDL model.
Biophysical journal 2008;94(12):L87-9.
2008: Sotomayor Marcos; Schulten Klaus
The allosteric role of the Ca2+ switch in adhesion and elasticity of C-cadherin.
Biophysical journal 2008;94(12):4621-33.
2008: Trabuco Leonardo G; Villa Elizabeth; Mitra Kakoli; Frank Joachim; Schulten Klaus
Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics.
Structure (London, England : 1993) 2008;16(5):673-83.
2008: Freddolino Peter L; Liu Feng; Gruebele Martin; Schulten Klaus
Ten-microsecond molecular dynamics simulation of a fast-folding WW domain.
Biophysical journal 2008;94(10):L75-7.
2008: Rajan Aruna; Strano Michael S; Heller Daniel A; Hertel Tobias; Schulten Klaus
Length-dependent optical effects in single walled carbon nanotubes.
The journal of physical chemistry. B 2008;112(19):6211-3.
2008: Vásquez Valeria; Sotomayor Marcos; Cortes D Marien; Roux Benoît; Schulten Klaus; Perozo Eduardo
Three-dimensional architecture of membrane-embedded MscS in the closed conformation.
Journal of molecular biology 2008;378(1):55-70.
2008: Lim Bernard B C; Lee Eric H; Sotomayor Marcos; Schulten Klaus
Molecular basis of fibrin clot elasticity.
Structure (London, England : 1993) 2008;16(3):449-59.
2008: Hénin Jérôme; Tajkhorshid Emad; Schulten Klaus; Chipot Christophe
Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF.
Biophysical journal 2008;94(3):832-9.
2008: Aksimentiev Aleksei; Brunner Robert; Cohen Jordi; Comer Jeffrey; Cruz-Chu Eduardo; Hardy David; Rajan Aruna; Shih Amy; Sigalov Grigori; Yin Ying; Schulten Klaus
Computer modeling in biotechnology: a partner in development.
Methods in molecular biology (Clifton, N.J.) 2008;474():181-234.
2008: Cohen Jordi; Olsen Kenneth W; Schulten Klaus
Finding gas migration pathways in proteins using implicit ligand sampling.
Methods in enzymology 2008;437():439-57.
2007: Stone John E; Phillips James C; Freddolino Peter L; Hardy David J; Trabuco Leonardo G; Schulten Klaus
Accelerating molecular modeling applications with graphics processors.
Journal of computational chemistry 2007;28(16):2618-40.
2007: Arkhipov Anton; Hüve Jana; Kahms Martin; Peters Reiner; Schulten Klaus
Continuous fluorescence microphotolysis and correlation spectroscopy using 4Pi microscopy.
Biophysical journal 2007;93(11):4006-17.
2007: Yu Jin; Ha Taekjip; Schulten Klaus
How directional translocation is regulated in a DNA helicase motor.
Biophysical journal 2007;93(11):3783-97.
2007: Hohng Sungchul; Zhou Ruobo; Nahas Michelle K; Yu Jin; Schulten Klaus; Lilley David M J; Ha Taekjip
Fluorescence-force spectroscopy maps two-dimensional reaction landscape of the holliday junction.
Science (New York, N.Y.) 2007;318(5848):279-83.
2007: Sener Melih K; Olsen John D; Hunter C Neil; Schulten Klaus
Atomic-level structural and functional model of a bacterial photosynthetic membrane vesicle.
Proceedings of the National Academy of Sciences of the United States of America 2007;104(40):15723-8.
2007: Gumbart James; Schulten Klaus
Structural determinants of lateral gate opening in the protein translocon.
Biochemistry 2007;46(39):11147-57.
2007: Shih Amy Y; Arkhipov Anton; Freddolino Peter L; Sligar Stephen G; Schulten Klaus
Assembly of lipids and proteins into lipoprotein particles.
The journal of physical chemistry. B 2007;111(38):11095-104.
2007: Lee Eric H; Hsin Jen; Mayans Olga; Schulten Klaus
Secondary and tertiary structure elasticity of titin Z1Z2 and a titin chain model.
Biophysical journal 2007;93(5):1719-35.
2007: Isgro Timothy A; Schulten Klaus
Cse1p-binding dynamics reveal a binding pattern for FG-repeat nucleoporins on transport receptors.
Structure (London, England : 1993) 2007;15(8):977-91.
2007: Jensen Morten Ø; Yin Ying; Tajkhorshid Emad; Schulten Klaus
Sugar transport across lactose permease probed by steered molecular dynamics.
Biophysical journal 2007;93(1):92-102.
2007: Shih Amy Y; Freddolino Peter L; Sligar Stephen G; Schulten Klaus
Disassembly of nanodiscs with cholate.
Nano letters 2007;7(6):1692-6.
2007: Sotomayor Marcos; Schulten Klaus
Single-molecule experiments in vitro and in silico.
Science (New York, N.Y.) 2007;316(5828):1144-8.
2007: Wang Yi; Cohen Jordi; Boron Walter F; Schulten Klaus; Tajkhorshid Emad
Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics.
Journal of structural biology 2007;157(3):534-44.
2007: Shih Amy Y; Freddolino Peter L; Arkhipov Anton; Schulten Klaus
Assembly of lipoprotein particles revealed by coarse-grained molecular dynamics simulations.
Journal of structural biology 2007;157(3):579-92.
2007: Isgro Timothy A; Schulten Klaus
Association of nuclear pore FG-repeat domains to NTF2 import and export complexes.
Journal of molecular biology 2007;366(1):330-45.
2007: Sotomayor Marcos; Vásquez Valeria; Perozo Eduardo; Schulten Klaus
Ion conduction through MscS as determined by electrophysiology and simulation.
Biophysical journal 2007;92(3):886-902.
2006: Arkhipov Anton; Freddolino Peter L; Schulten Klaus
Stability and dynamics of virus capsids described by coarse-grained modeling.
Structure (London, England : 1993) 2006;14(12):1767-77.
2006: Arkhipov Anton; Freddolino Peter L; Imada Katsumi; Namba Keiichi; Schulten Klaus
Coarse-grained molecular dynamics simulations of a rotating bacterial flagellum.
Biophysical journal 2006;91(12):4589-97.
2006: Yin Ying; Jensen Morten Ø; Tajkhorshid Emad; Schulten Klaus
Sugar binding and protein conformational changes in lactose permease.
Biophysical journal 2006;91(11):3972-85.
2006: Cruz-Chu Eduardo R; Aksimentiev Aleksei; Schulten Klaus
Water-silica force field for simulating nanodevices.
The journal of physical chemistry. B 2006;110(43):21497-508.
2006: Freddolino Peter L; Dittrich Markus; Schulten Klaus
Dynamic switching mechanisms in LOV1 and LOV2 domains of plant phototropins.
Biophysical journal 2006;91(10):3630-9.
2006: Yu Jin; Yool Andrea J; Schulten Klaus; Tajkhorshid Emad
Mechanism of gating and ion conductivity of a possible tetrameric pore in aquaporin-1.
Structure (London, England : 1993) 2006;14(9):1411-23.
2006: Dittrich Markus; Schulten Klaus
PcrA helicase, a prototype ATP-driven molecular motor.
Structure (London, England : 1993) 2006;14(9):1345-53.
2006: Khalili-Araghi Fatemeh; Tajkhorshid Emad; Schulten Klaus
Dynamics of K+ ion conduction through Kv1.2.
Biophysical journal 2006;91(6):L72-4.
2006: Yu Jin; Ha Taekjip; Schulten Klaus
Structure-based model of the stepping motor of PcrA helicase.
Biophysical journal 2006;91(6):2097-114.
2006: Cohen Jordi; Arkhipov Anton; Braun Rosemary; Schulten Klaus
Imaging the migration pathways for O2, CO, NO, and Xe inside myoglobin.
Biophysical journal 2006;91(5):1844-57.
2006: Meyer Grischa R; Gullingsrud Justin; Schulten Klaus; Martinac Boris
Molecular dynamics study of MscL interactions with a curved lipid bilayer.
Biophysical journal 2006;91(5):1630-7.
2006: Hénin Jérôme; Schulten Klaus; Chipot Christophe
Conformational equilibrium in alanine-rich peptides probed by reversible stretching simulations.
The journal of physical chemistry. B 2006;110(33):16718-23.
2006: Gao Mu; Sotomayor Marcos; Villa Elizabeth; Lee Eric H; Schulten Klaus
Molecular mechanisms of cellular mechanics.
Physical chemistry chemical physics : PCCP 2006;8(32):3692-706.
2006: Sotomayor Marcos; van der Straaten Trudy A; Ravaioli Umberto; Schulten Klaus
Electrostatic properties of the mechanosensitive channel of small conductance MscS.
Biophysical journal 2006;90(10):3496-510.
2006: Gao Mu; Schulten Klaus
Onset of anthrax toxin pore formation.
Biophysical journal 2006;90(9):3267-79.
2006: Gumbart James; Schulten Klaus
Molecular dynamics studies of the archaeal translocon.
Biophysical journal 2006;90(7):2356-67.
2006: Balaeff Alexander; Mahadevan L; Schulten Klaus
Modeling DNA loops using the theory of elasticity.
Physical review. E, Statistical, nonlinear, and soft matter physics 2006;73(3 Pt 1):031919.
2006: Lu Deyu; Aksimentiev Aleksei; Shih Amy Y; Cruz-Chu Eduardo; Freddolino Peter L; Arkhipov Anton; Schulten Klaus
The role of molecular modeling in bionanotechnology.
Physical biology 2006;3(1):S40-53.
2006: Lee Eric H; Gao Mu; Pinotsis Nikos; Wilmanns Matthias; Schulten Klaus
Mechanical strength of the titin Z1Z2-telethonin complex.
Structure (London, England : 1993) 2006;14(3):497-509.
2006: Freddolino Peter L; Arkhipov Anton S; Larson Steven B; McPherson Alexander; Schulten Klaus
Molecular dynamics simulations of the complete satellite tobacco mosaic virus.
Structure (London, England : 1993) 2006;14(3):437-49.
2006: Shih Amy Y; Arkhipov Anton; Freddolino Peter L; Schulten Klaus
Coarse grained protein-lipid model with application to lipoprotein particles.
The journal of physical chemistry. B 2006;110(8):3674-84.
2006: Heng J B; Aksimentiev A; Ho C; Marks P; Grinkova Y V; Sligar S; Schulten K; Timp G
The electromechanics of DNA in a synthetic nanopore.
Biophysical journal 2006;90(3):1098-106.
2005: Dittrich Markus; Schulten Klaus
Zooming in on ATP hydrolysis in F1.
Journal of bioenergetics and biomembranes 2005;37(6):441-4.
2005: Lu Deyu; Li Yan; Ravaioli Umberto; Schulten Klaus
Ion-nanotube terahertz oscillator.
Physical review letters 2005;95(24):246801.
2005: Isgro Timothy A; Schulten Klaus
Binding dynamics of isolated nucleoporin repeat regions to importin-beta.
Structure (London, England : 1993) 2005;13(12):1869-79.
2005: Phillips James C; Braun Rosemary; Wang Wei; Gumbart James; Tajkhorshid Emad; Villa Elizabeth; Chipot Christophe; Skeel Robert D; Kalé Laxmikant; Schulten Klaus
Scalable molecular dynamics with NAMD.
Journal of computational chemistry 2005;26(16):1781-802.
2005: Heng Jiunn B; Aksimentiev Aleksei; Ho Chuen; Marks Patrick; Grinkova Yelena V; Sligar Steve; Schulten Klaus; Timp Gregory
Stretching DNA using the electric field in a synthetic nanopore.
Nano letters 2005;5(10):1883-8.
2005: Cohen Jordi; Kim Kwiseon; King Paul; Seibert Michael; Schulten Klaus
Finding gas diffusion pathways in proteins: application to O2 and H2 transport in CpI [FeFe]-hydrogenase and the role of packing defects.
Structure (London, England : 1993) 2005;13(9):1321-9.
2005: Sener Melih K; Jolley Craig; Ben-Shem Adam; Fromme Petra; Nelson Nathan; Croce Roberta; Schulten Klaus
Comparison of the light-harvesting networks of plant and cyanobacterial photosystem I.
Biophysical journal 2005;89(3):1630-42.
2005: Mathé Jérôme; Aksimentiev Aleksei; Nelson David R; Schulten Klaus; Meller Amit
Orientation discrimination of single-stranded DNA inside the alpha-hemolysin membrane channel.
Proceedings of the National Academy of Sciences of the United States of America 2005;102(35):12377-82.
2005: Wang Yi; Schulten Klaus; Tajkhorshid Emad
What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF.
Structure (London, England : 1993) 2005;13(8):1107-18.
2005: Gumbart James; Wang Yi; Aksimentiev Alekseij; Tajkhorshid Emad; Schulten Klaus
Molecular dynamics simulations of proteins in lipid bilayers.
Current opinion in structural biology 2005;15(4):423-31.
2005: Dittrich Markus; Freddolino Peter L; Schulten Klaus
When light falls in LOV: a quantum mechanical/molecular mechanical study of photoexcitation in Phot-LOV1 of Chlamydomonas reinhardtii.
The journal of physical chemistry. B 2005;109(26):13006-13.
2005: Lu Deyu; Li Yan; Ravaioli Umberto; Schulten Klaus
Empirical nanotube model for biological applications.
The journal of physical chemistry. B 2005;109(23):11461-7.
2005: Aksimentiev Aleksij; Schulten Klaus
Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map.
Biophysical journal 2005;88(6):3745-61.
2005: Villa Elizabeth; Balaeff Alexander; Schulten Klaus
Structural dynamics of the lac repressor-DNA complex revealed by a multiscale simulation.
Proceedings of the National Academy of Sciences of the United States of America 2005;102(19):6783-8.
2005: Sotomayor Marcos; Corey David P; Schulten Klaus
In search of the hair-cell gating spring elastic properties of ankyrin and cadherin repeats.
Structure (London, England : 1993) 2005;13(4):669-82.
2005: Cohen J; Kim K; Posewitz M; Ghirardi M L; Schulten K; Seibert M; King P
Molecular dynamics and experimental investigation of H(2) and O(2) diffusion in [Fe]-hydrogenase.
Biochemical Society transactions 2005;33(Pt 1):80-2.
2005: Ghirardi M L; King P W; Posewitz M C; Maness P Ching; Fedorov A; Kim K; Cohen J; Schulten K; Seibert M
Approaches to developing biological H(2)-photoproducing organisms and processes.
Biochemical Society transactions 2005;33(Pt 1):70-2.
2005: Shih Amy Y; Denisov Ilia G; Phillips James C; Sligar Stephen G; Schulten Klaus
Molecular dynamics simulations of discoidal bilayers assembled from truncated human lipoproteins.
Biophysical journal 2005;88(1):548-56.
2004: Kosztin Ioan; Schulten Klaus
Fluctuation-driven molecular transport through an asymmetric membrane channel.
Physical review letters 2004;93(23):238102.
2004: Zhu Fangqiang; Tajkhorshid Emad; Schulten Klaus
Collective diffusion model for water permeation through microscopic channels.
Physical review letters 2004;93(22):224501.
2004: Craig David; Gao Mu; Schulten Klaus; Vogel Viola
Structural insights into how the MIDAS ion stabilizes integrin binding to an RGD peptide under force.
Structure (London, England : 1993) 2004;12(11):2049-58.
2004: Sotomayor Marcos; Schulten Klaus
Molecular dynamics study of gating in the mechanosensitive channel of small conductance MscS.
Biophysical journal 2004;87(5):3050-65.
2004: Dittrich Markus; Hayashi Shigehiko; Schulten Klaus
ATP hydrolysis in the betaTP and betaDP catalytic sites of F1-ATPase.
Biophysical journal 2004;87(5):2954-67.
2004: Heng Jiunn B; Ho Chuen; Kim Taekyung; Timp Rolf; Aksimentiev Aleksij; Grinkova Yelena V; Sligar Stephen; Schulten Klaus; Timp Gregory
Sizing DNA using a nanometer-diameter pore.
Biophysical journal 2004;87(4):2905-11.
2004: Aksimentiev Aleksij; Heng Jiunn B; Timp Gregory; Schulten Klaus
Microscopic Kinetics of DNA Translocation through synthetic nanopores.
Biophysical journal 2004;87(3):2086-97.
2004: Baudry Jerome; Tajkhorshid Emad; Schulten Klaus
Complementarities and convergence of results in bacteriorhodopsin trimer simulations.
Biophysical journal 2004;87(2):1394-5; author reply 1396.
2004: Braun Rosemary; Engelman Donald M; Schulten Klaus
Molecular Dynamics Simulations of Micelle Formation around Dimeric Glycophorin A Transmembrane Helices.
Biophysical journal 2004;87(2):754-63.
2004: Balaeff A; Koudella C R; Mahadevan L; Schulten K
Modelling DNA loops using continuum and statistical mechanics.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 2004;362(1820):1355-71.
2004: Bayas M V; Schulten K; Leckband D
Forced dissociation of the strand dimer interface between C-cadherin ectodomains.
Mechanics & chemistry of biosystems : MCB 2004;1(2):101-11.
2004: Sener Melih K; Park Sanghyun; Lu Deyu; Damjanovic Ana; Ritz Thorsten; Fromme Petra; Schulten Klaus
Excitation migration in trimeric cyanobacterial photosystem I.
The Journal of chemical physics 2004;120(23):11183-95.
2004: Gullingsrud Justin; Schulten Klaus
Lipid bilayer pressure profiles and mechanosensitive channel gating.
Biophysical journal 2004;86(6):3496-509.
2004: Larios E; Li J S; Schulten K; Kihara H; Gruebele M
Multiple probes reveal a native-like intermediate during low-temperature refolding of ubiquitin.
Journal of molecular biology 2004;340(1):115-25.
2004: Park Sanghyun; Schulten Klaus
Calculating potentials of mean force from steered molecular dynamics simulations.
The Journal of chemical physics 2004;120(13):5946-61.
2004: Aksimentiev Aleksij; Schulten Klaus
Extending molecular modeling methodology to study insertion of membrane nanopores.
Proceedings of the National Academy of Sciences of the United States of America 2004;101(13):4337-8.
2004: Aksimentiev Aleksij; Balabin Ilya A; Fillingame Robert H; Schulten Klaus
Insights into the molecular mechanism of rotation in the Fo sector of ATP synthase.
Biophysical journal 2004;86(3):1332-44.
2004: Cohen Jordi; Schulten Klaus
Mechanism of anionic conduction across ClC.
Biophysical journal 2004;86(2):836-45.
2004: Balaeff Alexander; Mahadevan L; Schulten Klaus
Structural basis for cooperative DNA binding by CAP and lac repressor.
Structure (London, England : 1993) 2004;12(1):123-32.
2004: Craig David; Gao Mu; Schulten Klaus; Vogel Viola
Tuning the mechanical stability of fibronectin type III modules through sequence variations.
Structure (London, England : 1993) 2004;12(1):21-30.
2004: Zhu Fangqiang; Tajkhorshid Emad; Schulten Klaus
Theory and simulation of water permeation in aquaporin-1.
Biophysical journal 2004;86(1 Pt 1):50-7.
2004: Yu Jin; Ha Taekjip; Schulten Klaus
Conformational model of the Holliday junction transition deduced from molecular dynamics simulations.
Nucleic acids research 2004;32(22):6683-95.
2003: Gao Mu; Craig David; Lequin Olivier; Campbell Iain D; Vogel Viola; Schulten Klaus
Structure and functional significance of mechanically unfolded fibronectin type III1 intermediates.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(25):14784-9.
2003: Lu Deyu; Grayson Paul; Schulten Klaus
Glycerol conductance and physical asymmetry of the Escherichia coli glycerol facilitator GlpF.
Biophysical journal 2003;85(5):2977-87.
2003: Jensen Morten Ø; Tajkhorshid Emad; Schulten Klaus
Electrostatic tuning of permeation and selectivity in aquaporin water channels.
Biophysical journal 2003;85(5):2884-99.
2003: Dittrich Markus; Hayashi Shigehiko; Schulten Klaus
On the mechanism of ATP hydrolysis in F1-ATPase.
Biophysical journal 2003;85(4):2253-66.
2003: Gullingsrud Justin; Schulten Klaus
Gating of MscL studied by steered molecular dynamics.
Biophysical journal 2003;85(4):2087-99.
2003: Hayashi Shigehiko; Tajkhorshid Emad; Schulten Klaus
Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore.
Biophysical journal 2003;85(3):1440-9.
2003: Zhu Fangqiang; Schulten Klaus
Water and proton conduction through carbon nanotubes as models for biological channels.
Biophysical journal 2003;85(1):236-44.
2003: Grayson Paul; Tajkhorshid Emad; Schulten Klaus
Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics.
Biophysical journal 2003;85(1):36-48.
2003: Bayas M V; Schulten K; Leckband D
Forced detachment of the CD2-CD58 complex.
Biophysical journal 2003;84(4):2223-33.
2003: Tajkhorshid Emad; Aksimentiev Aleksij; Balabin Ilya; Gao Mu; Isralewitz Barry; Phillips James C; Zhu Fangqiang; Schulten Klaus
Large scale simulation of protein mechanics and function.
Advances in protein chemistry 2003;66():195-247.
2002: Gao Mu; Wilmanns Matthias; Schulten Klaus
Steered molecular dynamics studies of titin I1 domain unfolding.
Biophysical journal 2002;83(6):3435-45.
2002: Saam Jan; Tajkhorshid Emad; Hayashi Shigehiko; Schulten Klaus
Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin.
Biophysical journal 2002;83(6):3097-112.
2002: Gao Mu; Craig David; Vogel Viola; Schulten Klaus
Identifying unfolding intermediates of FN-III(10) by steered molecular dynamics.
Journal of molecular biology 2002;323(5):939-50.
2002: Hayashi Shigehiko; Tajkhorshid Emad; Schulten Klaus
Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle.
Biophysical journal 2002;83(3):1281-97.
2002: Ervin John; Larios Edgar; Osváth Szabolcs; Schulten Klaus; Gruebele Martin
What causes hyperfluorescence: folding intermediates or conformationally flexible native states?
Biophysical journal 2002;83(1):473-83.
2002: Zhu Fangqiang; Tajkhorshid Emad; Schulten Klaus
Pressure-induced water transport in membrane channels studied by molecular dynamics.
Biophysical journal 2002;83(1):154-60.
2002: Jensen Morten Ø; Park Sanghyun; Tajkhorshid Emad; Schulten Klaus
Energetics of glycerol conduction through aquaglyceroporin GlpF.
Proceedings of the National Academy of Sciences of the United States of America 2002;99(10):6731-6.
2002: Tajkhorshid Emad; Nollert Peter; Jensen Morten Ø; Miercke Larry J W; O'Connell Joseph; Stroud Robert M; Schulten Klaus
Control of the selectivity of the aquaporin water channel family by global orientational tuning.
Science (New York, N.Y.) 2002;296(5567):525-30.
2002: Ritz Thorsten; Damjanovic Ana; Schulten Klaus
The quantum physics of photosynthesis.
Chemphyschem : a European journal of chemical physics and physical chemistry 2002;3(3):243-8.
2002: Damjanovic Ana; Kosztin Ioan; Kleinekathöfer Ulrich; Schulten Klaus
Excitons in a photosynthetic light-harvesting system: a combined molecular dynamics, quantum chemistry, and polaron model study.
Physical review. E, Statistical, nonlinear, and soft matter physics 2002;65(3 Pt 1):031919.
2002: Sener Melih K; Schulten Klaus
General random matrix approach to account for the effect of static disorder on the spectral properties of light harvesting systems.
Physical review. E, Statistical, nonlinear, and soft matter physics 2002;65(3 Pt 1):031916.
2002: Kosztin Ioan; Bruinsma Robijn; O'Lague Paul; Schulten Klaus
Mechanical force generation by G proteins.
Proceedings of the National Academy of Sciences of the United States of America 2002;99(6):3575-80.
2002: Krammer André; Craig David; Thomas Wendy E; Schulten Klaus; Vogel Viola
A structural model for force regulated integrin binding to fibronectin's RGD-synergy site.
Matrix biology : journal of the International Society for Matrix Biology 2002;21(2):139-47.
2002: Hu Xiche; Ritz Thorsten; Damjanovic Ana; Autenrieth Felix; Schulten Klaus
Photosynthetic apparatus of purple bacteria.
Quarterly reviews of biophysics 2002;35(1):1-62.
2002: Lynch Thomas W; Kosztin Dorina; McLean Mark A; Schulten Klaus; Sligar Stephen G
Dissecting the molecular origins of specific protein-nucleic acid recognition: hydrostatic pressure and molecular dynamics.
Biophysical journal 2002;82(1 Pt 1):93-8.
2002: Braun Rosemary; Sarikaya Mehmet; Schulten Klaus
Genetically engineered gold-binding polypeptides: structure prediction and molecular dynamics.
Journal of biomaterials science. Polymer edition 2002;13(7):747-57.
2001: Jensen M O; Tajkhorshid E; Schulten K
The mechanism of glycerol conduction in aquaglyceroporins.
Structure (London, England : 1993) 2001;9(11):1083-93.
2001: Gao M; Lu H; Schulten K
Simulated refolding of stretched titin immunoglobulin domains.
Biophysical journal 2001;81(4):2268-77.
2001: Zhu F; Tajkhorshid E; Schulten K
Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer.
FEBS letters 2001;504(3):212-8.
2001: Craig D; Krammer A; Schulten K; Vogel V
Comparison of the early stages of forced unfolding for fibronectin type III modules.
Proceedings of the National Academy of Sciences of the United States of America 2001;98(10):5590-5.
2001: Gullingsrud J; Kosztin D; Schulten K
Structural determinants of MscL gating studied by molecular dynamics simulations.
Biophysical journal 2001;80(5):2074-81.
2001: Isralewitz B; Gao M; Schulten K
Steered molecular dynamics and mechanical functions of proteins.
Current opinion in structural biology 2001;11(2):224-30.
2001: Isralewitz B; Baudry J; Gullingsrud J; Kosztin D; Schulten K
Steered molecular dynamics investigations of protein function.
Journal of molecular graphics & modelling 2001;19(1):13-25.
2000: Schulten K
Electron transfer. Exploiting thermal motion.
Science (New York, N.Y.) 2000;290(5489):61-2.
2000: Damjanovic A; Ritz T; Schulten K
Excitation transfer in the peridinin-chlorophyll-protein of Amphidinium carterae.
Biophysical journal 2000;79(4):1695-705.
2000: Lu H; Schulten K
The key event in force-induced unfolding of Titin's immunoglobulin domains.
Biophysical journal 2000;79(1):51-65.
2000: Ritz T; Adem S; Schulten K
A model for photoreceptor-based magnetoreception in birds.
Biophysical journal 2000;78(2):707-18.
2000: Tajkhorshid E; Baudry J; Schulten K; Suhai S
Molecular dynamics study of the nature and origin of retinal's twisted structure in bacteriorhodopsin.
Biophysical journal 2000;78(2):683-93.
2000: Lu H; Krammer A; Isralewitz B; Vogel V; Schulten K
Computer modeling of force-induced titin domain unfolding.
Advances in experimental medicine and biology 2000;481():143-60; discussion 161-2.
1999: Izrailev S; Crofts A R; Berry E A; Schulten K
Steered molecular dynamics simulation of the Rieske subunit motion in the cytochrome bc(1) complex.
Biophysical journal 1999;77(4):1753-68.
1999: Lu H; Schulten K
Steered molecular dynamics simulations of force-induced protein domain unfolding.
Proteins 1999;35(4):453-63.
1999: Wriggers W; Schulten K
Investigating a back door mechanism of actin phosphate release by steered molecular dynamics.
Proteins 1999;35(2):262-73.
1999: Krammer A; Lu H; Isralewitz B; Schulten K; Vogel V
Forced unfolding of the fibronectin type III module reveals a tensile molecular recognition switch.
Proceedings of the National Academy of Sciences of the United States of America 1999;96(4):1351-6.
1999: Kosztin D; Izrailev S; Schulten K
Unbinding of retinoic acid from its receptor studied by steered molecular dynamics.
Biophysical journal 1999;76(1 Pt 1):188-97.
1998: Humphrey W; Lu H; Logunov I; Werner H J; Schulten K
Three electronic state model of the primary phototransformation of bacteriorhodopsin.
Biophysical journal 1998;75(4):1689-99.
1998: Hu X; Schulten K
Model for the light-harvesting complex I (B875) of Rhodobacter sphaeroides.
Biophysical journal 1998;75(2):683-94.
1998: Lu H; Isralewitz B; Krammer A; Vogel V; Schulten K
Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation.
Biophysical journal 1998;75(2):662-71.
1998: Wriggers W; Schulten K
Nucleotide-dependent movements of the kinesin motor domain predicted by simulated annealing.
Biophysical journal 1998;75(2):646-61.
1998: Hu X; Damjanovic A; Ritz T; Schulten K
Architecture and mechanism of the light-harvesting apparatus of purple bacteria.
Proceedings of the National Academy of Sciences of the United States of America 1998;95(11):5935-41.
1998: Wriggers W; Mehler E; Pitici F; Weinstein H; Schulten K
Structure and dynamics of calmodulin in solution.
Biophysical journal 1998;74(4):1622-39.
1998: Balaeff A; Churchill M E; Schulten K
Structure prediction of a complex between the chromosomal protein HMG-D and DNA.
Proteins 1998;30(2):113-35.
1998: Hofacker I; Schulten K
Oxygen and proton pathways in cytochrome c oxidase.
Proteins 1998;30(1):100-7.
1998: Ben-Nun M; Molnar F; Lu H; Phillips J C; Martínez T J; Schulten K
Quantum dynamics of the femtosecond photoisomerization of retinal in bacteriorhodopsin.
Faraday discussions 1998;(110):447-62; discussion 477-520.
1997: Isralewitz B; Izrailev S; Schulten K
Binding pathway of retinal to bacterio-opsin: a prediction by molecular dynamics simulations.
Biophysical journal 1997;73(6):2972-9.
1997: Phillips J C; Wriggers W; Li Z; Jonas A; Schulten K
Predicting the structure of apolipoprotein A-I in reconstituted high-density lipoprotein disks.
Biophysical journal 1997;73(5):2337-46.
1997: Wriggers W; Schulten K
Protein domain movements: detection of rigid domains and visualization of hinges in comparisons of atomic coordinates.
Proteins 1997;29(1):1-14.
1997: Balsera M; Stepaniants S; Izrailev S; Oono Y; Schulten K
Reconstructing potential energy functions from simulated force-induced unbinding processes.
Biophysical journal 1997;73(3):1281-7.
1997: Wriggers W; Schulten K
Stability and dynamics of G-actin: back-door water diffusion and behavior of a subdomain 3/4 loop.
Biophysical journal 1997;73(2):624-39.
1997: Kosztin D; Bishop T C; Schulten K
Binding of the estrogen receptor to DNA. The role of waters.
Biophysical journal 1997;73(2):557-70.
1997: Bishop T C; Kosztin D; Schulten K
How hormone receptor-DNA binding affects nucleosomal DNA: the role of symmetry.
Biophysical journal 1997;72(5):2056-67.
1997: Barsky D; Pütz B; Schulten K
Theory of heterogeneous relaxation in compartmentalized tissues.
Magnetic resonance in medicine : official journal of the Society of Magnetic Resonance in Medicine / Society of Magnetic Resonance in Medicine 1997;37(5):666-75.
1997: Izrailev S; Stepaniants S; Balsera M; Oono Y; Schulten K
Molecular dynamics study of unbinding of the avidin-biotin complex.
Biophysical journal 1997;72(4):1568-81.
1997: Humphrey W; Bamberg E; Schulten K
Photoproducts of bacteriorhodopsin mutants: a molecular dynamics study.
Biophysical journal 1997;72(3):1347-56.
1997: Dalke A; Schulten K
Using Tcl for molecular visualization and analysis.
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing 1997;():85-96.
1996: Zhou F; Schulten K
Molecular dynamics study of phospholipase A2 on a membrane surface.
Proteins 1996;25(1):12-27.
1996: Humphrey W; Dalke A; Schulten K
VMD: visual molecular dynamics.
Journal of molecular graphics 1996;14(1):33-8, 27-8.
1996: Xu D; Martin C; Schulten K
Molecular dynamics study of early picosecond events in the bacteriorhodopsin photocycle: dielectric response, vibrational cooling and the J, K intermediates.
Biophysical journal 1996;70(1):453-60.
1996: Bishop T C; Schulten K
Molecular dynamics study of glucocorticoid receptor-DNA binding.
Proteins 1996;24(1):115-33.
1995: Xu D; Sheves M; Schulten K
Molecular dynamics study of the M412 intermediate of bacteriorhodopsin.
Biophysical journal 1995;69(6):2745-60.
1995: Erwin E; Obermayer K; Schulten K
Models of orientation and ocular dominance columns in the visual cortex: a critical comparison.
Neural computation 1995;7(3):425-68.
1995: Logunov I; Humphrey W; Schulten K; Sheves M
Molecular dynamics study of the 13-cis form (bR548) of bacteriorhodopsin and its photocycle.
Biophysical journal 1995;68(4):1270-82.
1994: Humphrey W; Logunov I; Schulten K; Sheves M
Molecular dynamics study of bacteriorhodopsin and artificial pigments.
Biochemistry 1994;33(12):3668-78.
1993: Zhou F; Windemuth A; Schulten K
Molecular dynamics study of the proton pump cycle of bacteriorhodopsin.
Biochemistry 1993;32(9):2291-306.
1992: Bauer W R; Schulten K
Theory of contrast agents in magnetic resonance imaging: coupling of spin relaxation and transport.
Magnetic resonance in medicine : official journal of the Society of Magnetic Resonance in Medicine / Society of Magnetic Resonance in Medicine 1992;26(1):16-39.
1992: Shifman M A; Windemuth A; Schulten K; Miller P L
Molecular dynamics simulation on a network of workstations using a machine-independent parallel programming language.
Computers and biomedical research, an international journal 1992;25(2):168-80.
1992: Barsky D; Pütz B; Schulten K; Magin R L
Theory of paramagnetic contrast agents in liposome systems.
Magnetic resonance in medicine : official journal of the Society of Magnetic Resonance in Medicine / Society of Magnetic Resonance in Medicine 1992;24(1):1-13.
1992: Treutlein H; Schulten K; Brünger A T; Karplus M; Deisenhofer J; Michel H
Chromophore-protein interactions and the function of the photosynthetic reaction center: a molecular dynamics study.
Proceedings of the National Academy of Sciences of the United States of America 1992;89(1):75-9.
1992: Erwin E; Obermayer K; Schulten K
Self-organizing maps: ordering, convergence properties and energy functions.
Biological cybernetics 1992;67(1):47-55.
1992: Erwin E; Obermayer K; Schulten K
Self-organizing maps: stationary states, metastability and convergence rate.
Biological cybernetics 1992;67(1):35-45.
1991: Boehncke K; Nonella M; Schulten K; Wang A H
Molecular dynamics investigation of the interaction between DNA and distamycin.
Biochemistry 1991;30(22):5465-75.
1991: Shifman M A; Windemuth A; Schulten K; Miller P L
Molecular dynamics simulation on a network of workstations using a machine-independent parallel programming language.
Proceedings / the ... Annual Symposium on Computer Application [sic] in Medical Care. Symposium on Computer Applications in Medical Care 1991;():414-8.
1990: Obermayer K; Ritter H; Schulten K
A principle for the formation of the spatial structure of cortical feature maps.
Proceedings of the National Academy of Sciences of the United States of America 1990;87(21):8345-9.

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