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Klaus Schulten

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Maxim B Prigozhin; Klaus Schulten; Roland Winter; Anna Jean Wirth; Shobhna Kapoor; Yanxin Liu; Martin Gruebele
Misplaced helix slows down ultrafast pressure-jump protein folding.
Jiwook Shim; George Vasmatzis; Bala Murali Venkatesan; Xueqing Zou; Gwendolyn I Humphreys; Farhad Kosari; Jan Marie Munz; Ann M Nardulli; Chaitanya Sathe; Klaus Schulten; Rashid Bashir
Detection and quantification of methylation in DNA using solid-state nanopores.
Markita P Landry; Klaus Schulten; Lei Wang; Xueqing Zou; Wai Mun Huang; Yann R Chemla
DNA target sequence identification mechanism for dimer-active protein complexes.

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2013: Maxim B Prigozhin; Klaus Schulten; Roland Winter; Anna Jean Wirth; Shobhna Kapoor; Yanxin Liu; Martin Gruebele
Misplaced helix slows down ultrafast pressure-jump protein folding.
Proceedings of the National Academy of Sciences of the United States of America 2013;110(20):8087-92.
2013: Jiwook Shim; George Vasmatzis; Bala Murali Venkatesan; Xueqing Zou; Gwendolyn I Humphreys; Farhad Kosari; Jan Marie Munz; Ann M Nardulli; Chaitanya Sathe; Klaus Schulten; Rashid Bashir
Detection and quantification of methylation in DNA using solid-state nanopores.
Scientific reports 2013;3():1389.
2013: Markita P Landry; Klaus Schulten; Lei Wang; Xueqing Zou; Wai Mun Huang; Yann R Chemla
DNA target sequence identification mechanism for dimer-active protein complexes.
Nucleic acids research 2013;41(4):2416-27.
2013: Philip M D Severin; Xueqing Zou; Klaus Schulten; Hermann E Gaub
Effects of cytosine hydroxymethylation on DNA strand separation.
Biophysical journal 2013;104(1):208-15.
2013: Hang Yu; Klaus Schulten
Membrane sculpting by F-BAR domains studied by molecular dynamics simulations.
PLoS computational biology 2013;9(1):e1002892.
2012: Ernesto Vargas; Vladimir Yarov-Yarovoy; Klaus Schulten; Mounir Tarek; Francisco Bezanilla; William A Catterall; Fatemeh Khalili-Araghi; Michael L Klein; Erik Lindahl; Eduardo Perozo; Benoît Roux
An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations.
The Journal of general physiology 2012;140(6):587-94.
2012: Ilia A Solov'yov; Tatiana Domratcheva; Abdul Rehaman Moughal Shahi; Klaus Schulten
Decrypting cryptochrome: revealing the molecular identity of the photoactivation reaction.
Journal of the American Chemical Society 2012;134(43):18046-52.
2012: Ilia A Solov'yov; Po-Yao Chang; Klaus Schulten
Vibrationally assisted electron transfer mechanism of olfaction: myth or reality?
Physical chemistry chemical physics : PCCP 2012;14(40):13861-71.
2012: Yi Chen; Eduardo R Cruz-Chu; Manas R Gartia; Klaus Schulten; Jaie C Woodard; Logan Liu
Electrically induced conformational change of peptides on metallic nanosurfaces.
ACS nano 2012;6(10):8847-56.
2012: Kwok-Yan Chan; Eduard Schreiner; Leonardo G Trabuco; Klaus Schulten
Cryo-electron microscopy modeling by the molecular dynamics flexible fitting method.
Biopolymers 2012;97(9):678-86.
2012: Johan Strümpfer; Klaus Schulten
Excited state dynamics in photosynthetic reaction center and light harvesting complex 1.
The Journal of chemical physics 2012;137(6):065101.
2012: Mortaza Aghtar; Jörg Liebers; Klaus Schulten; Johan Strümpfer; Ulrich Kleinekathöfer
Juxtaposing density matrix and classical path-based wave packet dynamics.
The Journal of chemical physics 2012;136(21):214101.
2012: Xueqing Zou; Ilia A Solov'yov; Christophe Chipot; Wen Ma; Klaus Schulten
Recognition of methylated DNA through methyl-CpG binding domain proteins.
Nucleic acids research 2012;40(6):2747-58.
2012: Ilia A Solov'yov; Klaus Schulten
Reaction kinetics and mechanism of magnetic field effects in cryptochrome.
The journal of physical chemistry. B 2012;116(3):1089-99.
2012: Fatemeh Khalili-Araghi; Benoît Roux; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Molecular dynamics investigation of the ω-current in the Kv1.2 voltage sensor domains.
Biophysical journal 2012;102(2):258-67.
2012: Danielle E Chandler; François Penin; Klaus Schulten; Christophe Chipot
The p7 protein of hepatitis C virus forms structurally plastic, minimalist ion channels.
PLoS computational biology 2012;8(9):e1002702.
2011: Chaitanya Sathe; Jean-Pierre Leburton; Xueqing Zou; Klaus Schulten
Computational investigation of DNA detection using graphene nanopores.
ACS nano 2011;5(11):8842-51.
2011: Philip M D Severin; Xueqing Zou; Hermann E Gaub; Klaus Schulten
Cytosine methylation alters DNA mechanical properties.
Nucleic acids research 2011;39(20):8740-51.
2011: Kwok-Yan Chan; James Gumbart; Ryan McGreevy; B Trevor Sewell; Jean M Watermeyer; Klaus Schulten
Symmetry-restrained flexible fitting for symmetric EM maps.
Structure (London, England : 1993) 2011;19(9):1211-8.
2011: Jen Hsin; Alla Kazy; Loren M LaPointe; Christophe Chipot; Alessandro Senes; Klaus Schulten
Oligomerization state of photosynthetic core complexes is correlated with the dimerization affinity of a transmembrane helix.
Journal of the American Chemical Society 2011;133(35):14071-81.
2011: Carsten Olbrich; Klaus Schulten; Johan Strümpfer; Mortaza Aghtar; Thomas L C Jansen; Jasper Knoester; Jörg Liebers; Ulrich Kleinekathöfer
From atomistic modeling to excitation transfer and two-dimensional spectra of the FMO light-harvesting complex.
The journal of physical chemistry. B 2011;115(26):8609-21.
2011: Ramya Gamini; Christophe Chipot; Marcos Sotomayor; Klaus Schulten
Cytoplasmic domain filter function in the mechanosensitive channel of small conductance.
Biophysical journal 2011;101(1):80-9.
2011: Ulrich Kleinekathöfer; Markus Dittrich; Barry Isralewitz; Klaus Schulten
Domain motion of individual F1-ATPase β-subunits during unbiased molecular dynamics simulations.
The journal of physical chemistry. A 2011;115(25):7267-74.
2011: Yanxin Liu; Jen Hsin; HyeongJun Kim; Paul R Selvin; Klaus Schulten
Extension of a three-helix bundle domain of myosin VI and key role of calmodulins.
Biophysical journal 2011;100(12):2964-73.
2011: David E Tanner; Wen Ma; Zhongzhou Chen; Klaus Schulten
Theoretical and computational investigation of flagellin translocation and bacterial flagellum growth.
Biophysical journal 2011;100(11):2548-56.
2011: James Gumbart; Christophe Chipot; Klaus Schulten
Free energy of nascent-chain folding in the translocon.
Journal of the American Chemical Society 2011;133(19):7602-7.
2011: Jens Frauenfeld; James Gumbart; Eli O van der Sluis; Soledad Funes; Marco Gartmann; Birgitta Beatrix; Thorsten Mielke; Otto Berninghausen; Thomas Becker; Klaus Schulten; Roland Beckmann
Cryo-EM structure of the ribosome-SecYE complex in the membrane environment.
Nature structural & molecular biology 2011;18(5):614-21.
2011: Johan Strümpfer; Klaus Schulten
The effect of correlated bath fluctuations on exciton transfer.
The Journal of chemical physics 2011;134(9):095102.
2011: James Gumbart; Christophe Chipot; Klaus Schulten
Free-energy cost for translocon-assisted insertion of membrane proteins.
Proceedings of the National Academy of Sciences of the United States of America 2011;108(9):3596-601.
2011: Leonardo G Trabuco; Eduard Schreiner; James Gumbart; Jen Hsin; Elizabeth Villa; Klaus Schulten
Applications of the molecular dynamics flexible fitting method.
Journal of structural biology 2011;173(3):420-7.
2011: Melih Şener; Johan Strümpfer; Jen Hsin; Danielle Chandler; Simon Scheuring; C Neil Hunter; Klaus Schulten
Förster energy transfer theory as reflected in the structures of photosynthetic light-harvesting systems.
Chemphyschem : a European journal of chemical physics and physical chemistry 2011;12(3):518-31.
2011: Jen Hsin; Klaus Schulten
Improved resolution of tertiary structure elasticity in muscle protein.
Biophysical journal 2011;100(4):L22-4.
2011: Carsten Olbrich; Johan Strümpfer; Klaus Schulten; Ulrich Kleinekathöfer
Quest for spatially correlated fluctuations in the FMO light-harvesting complex.
The journal of physical chemistry. B 2011;115(4):758-64.
2011: Eduard Schreiner; Peter L Freddolino; Leonardo G Trabuco; Klaus Schulten
Stereochemical errors and their implications for molecular dynamics simulations.
BMC bioinformatics 2011;12():190.
2010: Hyeongjun Kim; Jen Hsin; Yanxin Liu; Paul R Selvin; Klaus Schulten
Formation of salt bridges mediates internal dimerization of myosin VI medial tail domain.
Structure (London, England : 1993) 2010;18(11):1443-9.
2010: Aleksandra Kijac; Amy Y Shih; Andrew J Nieuwkoop; Klaus Schulten; Stephen G Sligar; Chad M Rienstra
Lipid-protein correlations in nanoscale phospholipid bilayers determined by solid-state nuclear magnetic resonance.
Biochemistry 2010;49(43):9190-8.
2010: Leonardo G Trabuco; Eduard Schreiner; John Eargle; Peter Cornish; Taekjip Ha; Zaida Luthey-Schulten; Klaus Schulten
The role of L1 stalk-tRNA interaction in the ribosome elongation cycle.
Journal of molecular biology 2010;402(4):741-60.
2010: John E Stone; David J Hardy; Ivan S Ufimtsev; Klaus Schulten
GPU-accelerated molecular modeling coming of age.
Journal of molecular graphics & modelling 2010;29(2):116-25.
2010: Eduardo R Cruz-Chu; Klaus Schulten
Computational microscopy of the role of protonable surface residues in nanoprecipitation oscillations.
ACS nano 2010;4(8):4463-74.
2010: Xueqing Zou; Yanxin Liu; Zhongzhou Chen; Gloria Ines Cárdenas-Jirón; Klaus Schulten
Flow-induced beta-hairpin folding of the glycoprotein Ibalpha beta-switch.
Biophysical journal 2010;99(4):1182-91.
2010: Jan Saam; Elena Rosini; Gianluca Molla; Klaus Schulten; Loredano Pollegioni; Sandro Ghisla
O2 reactivity of flavoproteins: dynamic access of dioxygen to the active site and role of a H+ relay system in D-amino acid oxidase.
The Journal of biological chemistry 2010;285(32):24439-46.
2010: Melih K Sener; Johan Strümpfer; John A Timney; Arvi Freiberg; C Neil Hunter; Klaus Schulten
Photosynthetic vesicle architecture and constraints on efficient energy harvesting.
Biophysical journal 2010;99(1):67-75.
2010: Fatemeh Khalili-Araghi; Vishwanath Jogini; Vladimir Yarov-Yarovoy; Emadeddin Emadeddin Tajkhorshid; Benoît Roux; Klaus Schulten
Calculation of the gating charge for the Kv1.2 voltage-activated potassium channel.
Biophysical journal 2010;98(10):2189-98.
2010: Leonardo G Trabuco; Christopher B Harrison; Eduard Schreiner; Klaus Schulten
Recognition of the regulatory nascent chain TnaC by the ribosome.
Structure (London, England : 1993) 2010;18(5):627-37.
2010: Jen Hsin; Danielle E Chandler; James Gumbart; Christopher B Harrison; Melih Sener; Johan Strumpfer; Klaus Schulten
Self-assembly of photosynthetic membranes.
Chemphyschem : a European journal of chemical physics and physical chemistry 2010;11(6):1154-9.
2010: Eric H Lee; Jen Hsin; Eleonore von Castelmur; Olga Mayans; Klaus Schulten
Tertiary and secondary structure elasticity of a six-Ig titin chain.
Biophysical journal 2010;98(6):1085-95.
2010: Ly Le; Eric H Lee; David J Hardy; Thanh N Truong; Klaus Schulten
Molecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases.
PLoS computational biology 2010;6(9):.
2010: Aruna Rajan; Peter L Freddolino; Klaus Schulten
Going beyond clustering in MD trajectory analysis: an application to villin headpiece folding.
PloS one 2010;5(4):e9890.
2009: Johan Strümpfer; Klaus Schulten
Light harvesting complex II B850 excitation dynamics.
The Journal of chemical physics 2009;131(22):225101.
2009: Birgit Seidelt; C Axel Innis; Daniel N Wilson; Marco Gartmann; Jean-Paul Armache; Elizabeth Villa; Leonardo G Trabuco; Thomas Becker; Thorsten Mielke; Klaus Schulten; Thomas A Steitz; Roland Beckmann
Structural insight into nascent polypeptide chain-mediated translational stalling.
Science (New York, N.Y.) 2009;326(5958):1412-5.
2009: Thomas Becker; Shashi Bhushan; Alexander Jarasch; Jean-Paul Armache; Soledad Funes; Fabrice Jossinet; James Gumbart; Thorsten Mielke; Otto Berninghausen; Klaus Schulten; Eric Westhof; Reid Gilmore; Elisabet C Mandon; Roland Beckmann
Structure of monomeric yeast and mammalian Sec61 complexes interacting with the translating ribosome.
Science (New York, N.Y.) 2009;326(5958):1369-73.
2009: Danielle E Chandler; James Gumbart; John D Stack; Christophe Chipot; Klaus Schulten
Membrane curvature induced by aggregates of LH2s and monomeric LH1s.
Biophysical journal 2009;97(11):2978-84.
2009: Jen Hsin; Christophe Chipot; Klaus Schulten
A glycophorin A-like framework for the dimerization of photosynthetic core complexes.
Journal of the American Chemical Society 2009;131(47):17096-8.
2009: Anton Arkhipov; Ying Yin; Klaus Schulten
Membrane-bending mechanism of amphiphysin N-BAR domains.
Biophysical journal 2009;97(10):2727-35.
2009: James Gumbart; Leonardo G Trabuco; Eduard Schreiner; Elizabeth Villa; Klaus Schulten
Regulation of the protein-conducting channel by a bound ribosome.
Structure (London, England : 1993) 2009;17(11):1453-64.
2009: Peter L Freddolino; Klaus Schulten
Common structural transitions in explicit-solvent simulations of villin headpiece folding.
Biophysical journal 2009;97(8):2338-47.
2009: Eric H Lee; Jen Hsin; Marcos Sotomayor; Gemma Comellas; Klaus Schulten
Discovery through the computational microscope.
Structure (London, England : 1993) 2009;17(10):1295-306.
2009: Anton Arkhipov; Wouter H Roos; Gijs J L Wuite; Klaus Schulten
Elucidating the mechanism behind irreversible deformation of viral capsids.
Biophysical journal 2009;97(7):2061-9.
2009: Amy Y Shih; Stephen G Sligar; Klaus Schulten
Maturation of high-density lipoproteins.
Journal of the Royal Society, Interface / the Royal Society 2009;6(39):863-71.
2009: Leonardo G Trabuco; Elizabeth Villa; Eduard Schreiner; Christopher B Harrison; Klaus Schulten
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: Jen Hsin; James Gumbart; Leonardo G Trabuco; Elizabeth Villa; Pu Qian; C Neil Hunter; Klaus Schulten
Protein-induced membrane curvature investigated through molecular dynamics flexible fitting.
Biophysical journal 2009;97(1):321-9.
2009: Ying Yin; Anton Arkhipov; Klaus Schulten
Simulations of membrane tubulation by lattices of amphiphysin N-BAR domains.
Structure (London, England : 1993) 2009;17(6):882-92.
2009: Peter L Freddolino; Sanghyun Park; Benoît Roux; Klaus Schulten
Force field bias in protein folding simulations.
Biophysical journal 2009;96(9):3772-80.
2009: Venkat Maruthamuthu; Klaus Schulten; Deborah E Leckband
Elasticity and rupture of a multi-domain neural cell adhesion molecule complex.
Biophysical journal 2009;96(8):3005-14.
2009: Fatemeh Khalili-Araghi; James Gumbart; Po-Chao Wen; Marcos Sotomayor; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Molecular dynamics simulations of membrane channels and transporters.
Current opinion in structural biology 2009;19(2):128-37.
2009: Lingling Miao; Klaus Schulten
Transport-related structures and processes of the nuclear pore complex studied through molecular dynamics.
Structure (London, England : 1993) 2009;17(3):449-59.
2009: Anton Arkhipov; Klaus Schulten
Limits for reduction of effective focal volume in multiple-beam light microscopy.
Optics express 2009;17(4):2861-70.
2009: Elizabeth Villa; Jayati Sengupta; Leonardo G Trabuco; Jamie LeBarron; William T Baxter; Tanvir R Shaikh; Robert A Grassucci; Poul Nissen; Måns Ehrenberg; Klaus Schulten; Joachim Frank
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.
2009: Eduardo R Cruz-Chu; Thorsten Ritz; Zuzanna S Siwy; Klaus Schulten
Molecular control of ionic conduction in polymer nanopores.
Faraday discussions 2009;143():47-62; discussion 81-93.
2008: James Gumbart; Klaus Schulten
The roles of pore ring and plug in the SecY protein-conducting channel.
The Journal of general physiology 2008;132(6):709-19.
2008: Danielle E Chandler; Jen Hsin; Christopher B Harrison; James Gumbart; Klaus Schulten
Intrinsic curvature properties of photosynthetic proteins in chromatophores.
Biophysical journal 2008;95(6):2822-36.
2008: Anton Arkhipov; Ying Yin; Klaus Schulten
Four-scale description of membrane sculpting by BAR domains.
Biophysical journal 2008;95(6):2806-21.
2008: Valeria Vásquez; Marcos Sotomayor; Julio Cordero-Morales; Klaus Schulten; Eduardo Perozo
A structural mechanism for MscS gating in lipid bilayers.
Science (New York, N.Y.) 2008;321(5893):1210-4.
2008: Yongneng Yao; Chris B Harrison; Peter L Freddolino; Klaus Schulten; Mark L Mayer
Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
The EMBO journal 2008;27(15):2158-70.
2008: Zhongzhou Chen; Jizhong Lou; Cheng Zhu; Klaus Schulten
Flow-induced structural transition in the beta-switch region of glycoprotein Ib.
Biophysical journal 2008;95(3):1303-13.
2008: Amy Y Shih; Stephen G Sligar; Klaus Schulten
Molecular models need to be tested: the case of a solar flares discoidal HDL model.
Biophysical journal 2008;94(12):L87-9.
2008: Marcos Sotomayor; Klaus Schulten
The allosteric role of the Ca2+ switch in adhesion and elasticity of C-cadherin.
Biophysical journal 2008;94(12):4621-33.
2008: Peter L Freddolino; Feng Liu; Martin Gruebele; Klaus Schulten
Ten-microsecond molecular dynamics simulation of a fast-folding WW domain.
Biophysical journal 2008;94(10):L75-7.
2008: Aruna Rajan; Michael Strano; Daniel A Heller; Tobias Hertel; Klaus Schulten
Length-dependent optical effects in single walled carbon nanotubes.
The journal of physical chemistry. B 2008;112(19):6211-3.
2008: Leonardo G Trabuco; Elizabeth Villa; Kakoli Mitra; Joachim Frank; Klaus Schulten
Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics.
Structure (London, England : 1993) 2008;16(5):673-83.
2008: Valeria Vásquez; Marcos Sotomayor; D Marien Cortes; Benoît Roux; Klaus Schulten; Eduardo Perozo
Three-dimensional architecture of membrane-embedded MscS in the closed conformation.
Journal of molecular biology 2008;378(1):55-70.
2008: Bernard B C Lim; Eric H Lee; Marcos Sotomayor; Klaus Schulten
Molecular basis of fibrin clot elasticity.
Structure (London, England : 1993) 2008;16(3):449-59.
2008: Jérôme Hénin; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten; Christophe Chipot
Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF.
Biophysical journal 2008;94(3):832-9.
2008: Aleksij Aksimentiev; Robert Brunner; Jordi Cohen; Jeffrey Comer; Eduardo R Cruz-Chu; David Hardy; Aruna Rajan; Amy Y Shih; Grigori Sigalov; Ying Yin; Klaus Schulten
Computer modeling in biotechnology: a partner in development.
Methods in molecular biology (Clifton, N.J.) 2008;474():181-234.
2008: Jordi Cohen; Kenneth Olsen; Klaus Schulten
Finding gas migration pathways in proteins using implicit ligand sampling.
Methods in enzymology 2008;437():439-57.
2007: John E Stone; James C Phillips; Peter L Freddolino; David J Hardy; Leonardo G Trabuco; Klaus Schulten
Accelerating molecular modeling applications with graphics processors.
Journal of computational chemistry 2007;28(16):2618-40.
2007: Anton Arkhipov; Jana Hüve; Martin Kahms; Reiner Peters; Klaus Schulten
Continuous fluorescence microphotolysis and correlation spectroscopy using 4Pi microscopy.
Biophysical journal 2007;93(11):4006-17.
2007: Jin Yu; Taekjip Ha; Klaus Schulten
How directional translocation is regulated in a DNA helicase motor.
Biophysical journal 2007;93(11):3783-97.
2007: Sungchul Hohng; Ruobo Zhou; Michelle K Nahas; Jin Yu; Klaus Schulten; David M J Lilley; Taekjip Ha
Fluorescence-force spectroscopy maps two-dimensional reaction landscape of the holliday junction.
Science (New York, N.Y.) 2007;318(5848):279-83.
2007: Melih K Sener; John D Olsen; C Neil Hunter; Klaus Schulten
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: James Gumbart; Klaus Schulten
Structural determinants of lateral gate opening in the protein translocon.
Biochemistry 2007;46(39):11147-57.
2007: Amy Y Shih; Anton Arkhipov; Peter L Freddolino; Stephen G Sligar; Klaus Schulten
Assembly of lipids and proteins into lipoprotein particles.
The journal of physical chemistry. B 2007;111(38):11095-104.
2007: Eric H Lee; Jen Hsin; Olga Mayans; Klaus Schulten
Secondary and tertiary structure elasticity of titin Z1Z2 and a titin chain model.
Biophysical journal 2007;93(5):1719-35.
2007: Timothy A Isgro; Klaus Schulten
Cse1p-binding dynamics reveal a binding pattern for FG-repeat nucleoporins on transport receptors.
Structure (London, England : 1993) 2007;15(8):977-91.
2007: Morten Ø Jensen; Ying Yin; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Sugar transport across lactose permease probed by steered molecular dynamics.
Biophysical journal 2007;93(1):92-102.
2007: Amy Y Shih; Peter L Freddolino; Stephen G Sligar; Klaus Schulten
Disassembly of nanodiscs with cholate.
Nano letters 2007;7(6):1692-6.
2007: Marcos Sotomayor; Klaus Schulten
Single-molecule experiments in vitro and in silico.
Science (New York, N.Y.) 2007;316(5828):1144-8.
2007: Yi Wang; Jordi Cohen; Walter F Boron; Klaus Schulten; Emadeddin Emadeddin Tajkhorshid
Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics.
Journal of structural biology 2007;157(3):534-44.
2007: Amy Y Shih; Peter L Freddolino; Anton Arkhipov; Klaus Schulten
Assembly of lipoprotein particles revealed by coarse-grained molecular dynamics simulations.
Journal of structural biology 2007;157(3):579-92.
2007: Timothy A Isgro; Klaus Schulten
Association of nuclear pore FG-repeat domains to NTF2 import and export complexes.
Journal of molecular biology 2007;366(1):330-45.
2007: Marcos Sotomayor; Valeria Vásquez; Eduardo Perozo; Klaus Schulten
Ion conduction through MscS as determined by electrophysiology and simulation.
Biophysical journal 2007;92(3):886-902.
2006: Anton Arkhipov; Peter L Freddolino; Katsumi Imada; Keiichi Namba; Klaus Schulten
Coarse-grained molecular dynamics simulations of a rotating bacterial flagellum.
Biophysical journal 2006;91(12):4589-97.
2006: Anton Arkhipov; Peter L Freddolino; Klaus Schulten
Stability and dynamics of virus capsids described by coarse-grained modeling.
Structure (London, England : 1993) 2006;14(12):1767-77.
2006: Ying Yin; Morten Ø Jensen; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Sugar binding and protein conformational changes in lactose permease.
Biophysical journal 2006;91(11):3972-85.
2006: Peter L Freddolino; Markus Dittrich; Klaus Schulten
Dynamic switching mechanisms in LOV1 and LOV2 domains of plant phototropins.
Biophysical journal 2006;91(10):3630-9.
2006: Eduardo R Cruz-Chu; Aleksij Aksimentiev; Klaus Schulten
Water-silica force field for simulating nanodevices.
The journal of physical chemistry. B 2006;110(43):21497-508.
2006: Fatemeh Khalili-Araghi; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Dynamics of K+ ion conduction through Kv1.2.
Biophysical journal 2006;91(6):L72-4.
2006: Jin Yu; Taekjip Ha; Klaus Schulten
Structure-based model of the stepping motor of PcrA helicase.
Biophysical journal 2006;91(6):2097-114.
2006: Jin Yu; Andrea J Yool; Klaus Schulten; Emadeddin Emadeddin Tajkhorshid
Mechanism of gating and ion conductivity of a possible tetrameric pore in aquaporin-1.
Structure (London, England : 1993) 2006;14(9):1411-23.
2006: Markus Dittrich; Klaus Schulten
PcrA helicase, a prototype ATP-driven molecular motor.
Structure (London, England : 1993) 2006;14(9):1345-53.
2006: Jordi Cohen; Anton Arkhipov; Rosemary Braun; Klaus Schulten
Imaging the migration pathways for O2, CO, NO, and Xe inside myoglobin.
Biophysical journal 2006;91(5):1844-57.
2006: Grischa R Meyer; Justin Gullingsrud; Klaus Schulten; Boris Martinac
Molecular dynamics study of MscL interactions with a curved lipid bilayer.
Biophysical journal 2006;91(5):1630-7.
2006: Mu Gao; Marcos Sotomayor; Elizabeth Villa; Eric H Lee; Klaus Schulten
Molecular mechanisms of cellular mechanics.
Physical chemistry chemical physics : PCCP 2006;8(32):3692-706.
2006: Jérôme Hénin; Klaus Schulten; Christophe Chipot
Conformational equilibrium in alanine-rich peptides probed by reversible stretching simulations.
The journal of physical chemistry. B 2006;110(33):16718-23.
2006: Marcos Sotomayor; Trudy A van der Straaten; Umberto Ravaioli; Klaus Schulten
Electrostatic properties of the mechanosensitive channel of small conductance MscS.
Biophysical journal 2006;90(10):3496-510.
2006: Mu Gao; Klaus Schulten
Onset of anthrax toxin pore formation.
Biophysical journal 2006;90(9):3267-79.
2006: James Gumbart; Klaus Schulten
Molecular dynamics studies of the archaeal translocon.
Biophysical journal 2006;90(7):2356-67.
2006: Amy Y Shih; Anton Arkhipov; Peter L Freddolino; Klaus Schulten
Coarse grained protein-lipid model with application to lipoprotein particles.
The journal of physical chemistry. B 2006;110(8):3674-84.
2006: Alexander Balaeff; L Mahadevan; Klaus Schulten
Modeling DNA loops using the theory of elasticity.
Physical review. E, Statistical, nonlinear, and soft matter physics 2006;73(3 Pt 1):031919.
2006: Deyu Lu; Aleksij Aksimentiev; Amy Y Shih; Eduardo R Cruz-Chu; Peter L Freddolino; Anton Arkhipov; Klaus Schulten
The role of molecular modeling in bionanotechnology.
Physical biology 2006;3(1):S40-53.
2006: Eric H Lee; Mu Gao; Nikos Pinotsis; Matthias Wilmanns; Klaus Schulten
Mechanical strength of the titin Z1Z2-telethonin complex.
Structure (London, England : 1993) 2006;14(3):497-509.
2006: Peter L Freddolino; Anton Arkhipov; Steven B Larson; Alexander McPherson; Klaus Schulten
Molecular dynamics simulations of the complete satellite tobacco mosaic virus.
Structure (London, England : 1993) 2006;14(3):437-49.
2006: Jiunn B Heng; Aleksij Aksimentiev; Chien Ho; P Marks; Yelena V Grinkova; Stephen G Sligar; Klaus Schulten; Gregory Timp
The electromechanics of DNA in a synthetic nanopore.
Biophysical journal 2006;90(3):1098-106.
2005: Deyu Lu; Yan Li; Umberto Ravaioli; Klaus Schulten
Ion-nanotube terahertz oscillator.
Physical review letters 2005;95(24):246801.
2005: Markus Dittrich; Klaus Schulten
Zooming in on ATP hydrolysis in F1.
Journal of bioenergetics and biomembranes 2005;37(6):441-4.
2005: Timothy A Isgro; Klaus Schulten
Binding dynamics of isolated nucleoporin repeat regions to importin-beta.
Structure (London, England : 1993) 2005;13(12):1869-79.
2005: James C Phillips; Rosemary Braun; Wei Wang; James Gumbart; Emadeddin Emadeddin Tajkhorshid; Elizabeth Villa; Christophe Chipot; Robert D Skeel; Laxmikant Kalé; Klaus Schulten
Scalable molecular dynamics with NAMD.
Journal of computational chemistry 2005;26(16):1781-802.
2005: Jiunn B Heng; Aleksij Aksimentiev; Chuen Ho; Patrick Marks; Yelena V Grinkova; Stephen G Sligar; Klaus Schulten; Gregory Timp
Stretching DNA using the electric field in a synthetic nanopore.
Nano letters 2005;5(10):1883-8.
2005: Jordi Cohen; Kwiseon Kim; Paul King; Michael Seibert; Klaus Schulten
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: Melih K Sener; Craig Jolley; Adam Ben-Shem; Petra Fromme; Nathan Nelson; Roberta Croce; Klaus Schulten
Comparison of the light-harvesting networks of plant and cyanobacterial photosystem I.
Biophysical journal 2005;89(3):1630-42.
2005: Jerome MATHE; Aleksij Aksimentiev; David R Nelson; Klaus Schulten; Amit Meller
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: Yi Wang; Klaus Schulten; Emadeddin Emadeddin Tajkhorshid
What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF.
Structure (London, England : 1993) 2005;13(8):1107-18.
2005: James Gumbart; Yi Wang; Aleksij Aksimentiev; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Molecular dynamics simulations of proteins in lipid bilayers.
Current opinion in structural biology 2005;15(4):423-31.
2005: Markus Dittrich; Peter L Freddolino; Klaus Schulten
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: Deyu Lu; Yan Li; Umberto Ravaioli; Klaus Schulten
Empirical nanotube model for biological applications.
The journal of physical chemistry. B 2005;109(23):11461-7.
2005: Aleksij Aksimentiev; Klaus Schulten
Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map.
Biophysical journal 2005;88(6):3745-61.
2005: Elizabeth Villa; Alexander Balaeff; Klaus Schulten
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: Marcos Sotomayor; David P Corey; Klaus Schulten
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: J Cohen; Kwiseon Kim; Matthew C Posewitz; Maria L Ghirardi; Klaus Schulten; Michael Seibert; P King
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: Maria L Ghirardi; Paul W King; Matthew C Posewitz; Pin-Ching Maness; A Fedorov; Kwiseon Kim; J Cohen; Klaus Schulten; Michael Seibert
Approaches to developing biological H(2)-photoproducing organisms and processes.
Biochemical Society transactions 2005;33(Pt 1):70-2.
2005: Amy Y Shih; Ilia Denisov; James C Phillips; Stephen G Sligar; Klaus Schulten
Molecular dynamics simulations of discoidal bilayers assembled from truncated human lipoproteins.
Biophysical journal 2005;88(1):548-56.
2004: Ioan Kosztin; Klaus Schulten
Fluctuation-driven molecular transport through an asymmetric membrane channel.
Physical review letters 2004;93(23):238102.
2004: Fangqiang Zhu; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Collective diffusion model for water permeation through microscopic channels.
Physical review letters 2004;93(22):224501.
2004: David Craig; Mu Gao; Klaus Schulten; Viola Vogel
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: Marcos Sotomayor; Klaus Schulten
Molecular dynamics study of gating in the mechanosensitive channel of small conductance MscS.
Biophysical journal 2004;87(5):3050-65.
2004: Markus Dittrich; Shigehiko Hayashi; Klaus Schulten
ATP hydrolysis in the betaTP and betaDP catalytic sites of F1-ATPase.
Biophysical journal 2004;87(5):2954-67.
2004: Jiunn B Heng; Chuen Ho; Taekyung Kim; Rolf J Timp; Aleksij Aksimentiev; Yelena V Grinkova; Stephen G Sligar; Klaus Schulten; Gregory Timp
Sizing DNA using a nanometer-diameter pore.
Biophysical journal 2004;87(4):2905-11.
2004: Aleksij Aksimentiev; Jiunn B Heng; Gregory Timp; Klaus Schulten
Microscopic Kinetics of DNA Translocation through synthetic nanopores.
Biophysical journal 2004;87(3):2086-97.
2004: Jerome Baudry; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Complementarities and convergence of results in bacteriorhodopsin trimer simulations.
Biophysical journal 2004;87(2):1394-5; author reply 1396.
2004: Rosemary Braun; Donald M Engelman; Klaus Schulten
Molecular Dynamics Simulations of Micelle Formation around Dimeric Glycophorin A Transmembrane Helices.
Biophysical journal 2004;87(2):754-63.
2004: Alexander Balaeff; C R Koudella; L Mahadevan; Klaus Schulten
Modelling DNA loops using continuum and statistical mechanics.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 2004;362(1820):1355-71.
2004: Edgar Larios; J S Li; Klaus Schulten; H Kihara; Martin Gruebele
Multiple probes reveal a native-like intermediate during low-temperature refolding of ubiquitin.
Journal of molecular biology 2004;340(1):115-25.
2004: Melih K Sener; Sanghyun Park; Deyu Lu; Ana Damjanovic; Thorsten Ritz; Petra Fromme; Klaus Schulten
Excitation migration in trimeric cyanobacterial photosystem I.
The Journal of chemical physics 2004;120(23):11183-95.
2004: Marco V Bayas; Klaus Schulten; Deborah E Leckband
Forced dissociation of the strand dimer interface between C-cadherin ectodomains.
Mechanics & chemistry of biosystems : MCB 2004;1(2):101-11.
2004: Justin Gullingsrud; Klaus Schulten
Lipid bilayer pressure profiles and mechanosensitive channel gating.
Biophysical journal 2004;86(6):3496-509.
2004: Sanghyun Park; Klaus Schulten
Calculating potentials of mean force from steered molecular dynamics simulations.
The Journal of chemical physics 2004;120(13):5946-61.
2004: Aleksij Aksimentiev; Klaus Schulten
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: Aleksij Aksimentiev; Ilya A Balabin; Robert H Fillingame; Klaus Schulten
Insights into the molecular mechanism of rotation in the Fo sector of ATP synthase.
Biophysical journal 2004;86(3):1332-44.
2004: Jordi Cohen; Klaus Schulten
Mechanism of anionic conduction across ClC.
Biophysical journal 2004;86(2):836-45.
2004: Jin Yu; Taekjip Ha; Klaus Schulten
Conformational model of the Holliday junction transition deduced from molecular dynamics simulations.
Nucleic acids research 2004;32(22):6683-95.
2004: Alexander Balaeff; L Mahadevan; Klaus Schulten
Structural basis for cooperative DNA binding by CAP and lac repressor.
Structure (London, England : 1993) 2004;12(1):123-32.
2004: David Craig; Mu Gao; Klaus Schulten; Viola Vogel
Tuning the mechanical stability of fibronectin type III modules through sequence variations.
Structure (London, England : 1993) 2004;12(1):21-30.
2004: Fangqiang Zhu; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Theory and simulation of water permeation in aquaporin-1.
Biophysical journal 2004;86(1 Pt 1):50-7.
2003: Mu Gao; David Craig; Olivier Lequin; Iain D Campbell; Viola Vogel; Klaus Schulten
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: Deyu Lu; Paul Grayson; Klaus Schulten
Glycerol conductance and physical asymmetry of the Escherichia coli glycerol facilitator GlpF.
Biophysical journal 2003;85(5):2977-87.
2003: Morten Ø Jensen; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Electrostatic tuning of permeation and selectivity in aquaporin water channels.
Biophysical journal 2003;85(5):2884-99.
2003: Markus Dittrich; Shigehiko Hayashi; Klaus Schulten
On the mechanism of ATP hydrolysis in F1-ATPase.
Biophysical journal 2003;85(4):2253-66.
2003: Justin Gullingsrud; Klaus Schulten
Gating of MscL studied by steered molecular dynamics.
Biophysical journal 2003;85(4):2087-99.
2003: Shigehiko Hayashi; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore.
Biophysical journal 2003;85(3):1440-9.
2003: Fangqiang Zhu; Klaus Schulten
Water and proton conduction through carbon nanotubes as models for biological channels.
Biophysical journal 2003;85(1):236-44.
2003: Paul Grayson; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics.
Biophysical journal 2003;85(1):36-48.
2003: Marco V Bayas; Klaus Schulten; Deborah E Leckband
Forced detachment of the CD2-CD58 complex.
Biophysical journal 2003;84(4):2223-33.
2003: Emadeddin Emadeddin Tajkhorshid; Aleksij Aksimentiev; Ilya A Balabin; Mu Gao; Barry Isralewitz; James C Phillips; Fangqiang Zhu; Klaus Schulten
Large scale simulation of protein mechanics and function.
Advances in protein chemistry 2003;66():195-247.
2002: Mu Gao; Matthias Wilmanns; Klaus Schulten
Steered molecular dynamics studies of titin I1 domain unfolding.
Biophysical journal 2002;83(6):3435-45.
2002: Jan Saam; Emadeddin Emadeddin Tajkhorshid; Shigehiko Hayashi; Klaus Schulten
Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin.
Biophysical journal 2002;83(6):3097-112.
2002: Mu Gao; David Craig; Viola Vogel; Klaus Schulten
Identifying unfolding intermediates of FN-III(10) by steered molecular dynamics.
Journal of molecular biology 2002;323(5):939-50.
2002: Shigehiko Hayashi; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle.
Biophysical journal 2002;83(3):1281-97.
2002: John Ervin; Edgar Larios; Szabolcs Osváth; Klaus Schulten; Martin Gruebele
What causes hyperfluorescence: folding intermediates or conformationally flexible native states?
Biophysical journal 2002;83(1):473-83.
2002: Fangqiang Zhu; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Pressure-induced water transport in membrane channels studied by molecular dynamics.
Biophysical journal 2002;83(1):154-60.
2002: Morten Ø Jensen; Sanghyun Park; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
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: Emadeddin Emadeddin Tajkhorshid; peter nollert; Morten Ø Jensen; Larry J W Miercke; Joseph O'Connell; Robert M Stroud; Klaus Schulten
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: Ioan Kosztin; Robijn F Bruinsma; Paul O'Lague; Klaus Schulten
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: Thorsten Ritz; Ana Damjanović; Klaus Schulten
The quantum physics of photosynthesis.
Chemphyschem : a European journal of chemical physics and physical chemistry 2002;3(3):243-8.
2002: Ana Damjanović; Ioan Kosztin; Ulrich Kleinekathöfer; Klaus Schulten
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: Melih K Sener; Klaus Schulten
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: André Krammer; David Craig; Wendy Thomas; Klaus Schulten; Viola Vogel
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: Xiche Hu; Thorsten Ritz; Ana Damjanović; Felix Autenrieth; Klaus Schulten
Photosynthetic apparatus of purple bacteria.
Quarterly reviews of biophysics 2002;35(1):1-62.
2002: Rosemary Braun; Mehmet Sarikaya; Klaus Schulten
Genetically engineered gold-binding polypeptides: structure prediction and molecular dynamics.
Journal of biomaterials science. Polymer edition 2002;13(7):747-57.
2002: Thomas W Lynch; Dorina Kosztin; Mark A McLean; Klaus Schulten; Stephen G Sligar
Dissecting the molecular origins of specific protein-nucleic acid recognition: hydrostatic pressure and molecular dynamics.
Biophysical journal 2002;82(1 Pt 1):93-8.
2001: M O Jensen; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
The mechanism of glycerol conduction in aquaglyceroporins.
Structure (London, England : 1993) 2001;9(11):1083-93.
2001: Mu Gao; H Lu; Klaus Schulten
Simulated refolding of stretched titin immunoglobulin domains.
Biophysical journal 2001;81(4):2268-77.
2001: Fangqiang Zhu; Emadeddin Emadeddin Tajkhorshid; Klaus Schulten
Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer.
FEBS letters 2001;504(3):212-8.
2001: David Craig; André Krammer; Klaus Schulten; Viola Vogel
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: Justin Gullingsrud; Dorina Kosztin; Klaus Schulten
Structural determinants of MscL gating studied by molecular dynamics simulations.
Biophysical journal 2001;80(5):2074-81.
2001: B Isralewitz; M Gao; Klaus Schulten
Steered molecular dynamics and mechanical functions of proteins.
Current opinion in structural biology 2001;11(2):224-30.
2001: B Isralewitz; Jerome Baudry; Justin Gullingsrud; Dorina Kosztin; Klaus Schulten
Steered molecular dynamics investigations of protein function.
Journal of molecular graphics & modelling 2001;19(1):13-25.
2000: Klaus Schulten
Electron transfer. Exploiting thermal motion.
Science (New York, N.Y.) 2000;290(5489):61-2.
2000: A Damjanović; Thorsten Ritz; Klaus Schulten
Excitation transfer in the peridinin-chlorophyll-protein of Amphidinium carterae.
Biophysical journal 2000;79(4):1695-705.
2000: H Lu; Klaus Schulten
The key event in force-induced unfolding of Titin's immunoglobulin domains.
Biophysical journal 2000;79(1):51-65.
2000: T Ritz; S Adem; Klaus Schulten
A model for photoreceptor-based magnetoreception in birds.
Biophysical journal 2000;78(2):707-18.
2000: Emadeddin Emadeddin Tajkhorshid; Jerome Baudry; Klaus Schulten; S Suhai
Molecular dynamics study of the nature and origin of retinal's twisted structure in bacteriorhodopsin.
Biophysical journal 2000;78(2):683-93.
2000: H Lu; André Krammer; B Isralewitz; Viola Vogel; Klaus Schulten
Computer modeling of force-induced titin domain unfolding.
Advances in experimental medicine and biology 2000;481():143-60; discussion 161-2.
1999: S Izrailev; Antony R Crofts; Edward A Berry; Klaus Schulten
Steered molecular dynamics simulation of the Rieske subunit motion in the cytochrome bc(1) complex.
Biophysical journal 1999;77(4):1753-68.
1999: Hui Lu; Klaus Schulten
Steered molecular dynamics simulations of force-induced protein domain unfolding.
Proteins 1999;35(4):453-63.
1999: Willy Wriggers; Klaus Schulten
Investigating a back door mechanism of actin phosphate release by steered molecular dynamics.
Proteins 1999;35(2):262-73.
1999: André Krammer; Hui Lu; B Isralewitz; Klaus Schulten; Viola Vogel
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: Dorina Kosztin; S Izrailev; Klaus Schulten
Unbinding of retinoic acid from its receptor studied by steered molecular dynamics.
Biophysical journal 1999;76(1 Pt 1):188-97.
1998: W Humphrey; H Lu; I Logunov; H J Werner; Klaus Schulten
Three electronic state model of the primary phototransformation of bacteriorhodopsin.
Biophysical journal 1998;75(4):1689-99.
1998: Xiche Hu; Klaus Schulten
Model for the light-harvesting complex I (B875) of Rhodobacter sphaeroides.
Biophysical journal 1998;75(2):683-94.
1998: H Lu; B Isralewitz; André Krammer; Viola Vogel; Klaus Schulten
Unfolding of titin immunoglobulin domains by steered molecular dynamics simulation.
Biophysical journal 1998;75(2):662-71.
1998: Willy Wriggers; Klaus Schulten
Nucleotide-dependent movements of the kinesin motor domain predicted by simulated annealing.
Biophysical journal 1998;75(2):646-61.
1998: Xiche Hu; A Damjanović; Thorsten Ritz; Klaus Schulten
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: Willy Wriggers; Ernest L Mehler; F Pitici; HAREL WEINSTEIN; Klaus Schulten
Structure and dynamics of calmodulin in solution.
Biophysical journal 1998;74(4):1622-39.
1998: Alexander Balaeff; Mair E A Churchill; Klaus Schulten
Structure prediction of a complex between the chromosomal protein HMG-D and DNA.
Proteins 1998;30(2):113-35.
1998: M Ben-Nun; F Molnar; H Lu; J C Phillips; T J Martínez; Klaus Schulten
Quantum dynamics of the femtosecond photoisomerization of retinal in bacteriorhodopsin.
Faraday discussions 1998;(110):447-62; discussion 477-520.
1998: I Hofacker; Klaus Schulten
Oxygen and proton pathways in cytochrome c oxidase.
Proteins 1998;30(1):100-7.
1997: B Isralewitz; S Izrailev; Klaus Schulten
Binding pathway of retinal to bacterio-opsin: a prediction by molecular dynamics simulations.
Biophysical journal 1997;73(6):2972-9.
1997: J C Phillips; W Wriggers; Z Li; Ana Jonas; Klaus Schulten
Predicting the structure of apolipoprotein A-I in reconstituted high-density lipoprotein disks.
Biophysical journal 1997;73(5):2337-46.
1997: W Wriggers; Klaus Schulten
Protein domain movements: detection of rigid domains and visualization of hinges in comparisons of atomic coordinates.
Proteins 1997;29(1):1-14.
1997: M Balsera; S Stepaniants; S Izrailev; Y Oono; Klaus Schulten
Reconstructing potential energy functions from simulated force-induced unbinding processes.
Biophysical journal 1997;73(3):1281-7.
1997: W Wriggers; Klaus Schulten
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: D Kosztin; thomas bishop; Klaus Schulten
Binding of the estrogen receptor to DNA. The role of waters.
Biophysical journal 1997;73(2):557-70.
1997: thomas bishop; D Kosztin; Klaus Schulten
How hormone receptor-DNA binding affects nucleosomal DNA: the role of symmetry.
Biophysical journal 1997;72(5):2056-67.
1997: D Barsky; Benno Pütz; Klaus Schulten
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: S Izrailev; S Stepaniants; M Balsera; Y Oono; Klaus Schulten
Molecular dynamics study of unbinding of the avidin-biotin complex.
Biophysical journal 1997;72(4):1568-81.
1997: W Humphrey; E Bamberg; Klaus Schulten
Photoproducts of bacteriorhodopsin mutants: a molecular dynamics study.
Biophysical journal 1997;72(3):1347-56.
1997: A Dalke; Klaus Schulten
Using Tcl for molecular visualization and analysis.
Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing 1997;():85-96.
1996: F Zhou; Klaus Schulten
Molecular dynamics study of phospholipase A2 on a membrane surface.
Proteins 1996;25(1):12-27.
1996: W Humphrey; A Dalke; Klaus Schulten
VMD: visual molecular dynamics.
Journal of molecular graphics 1996;14(1):33-8, 27-8.
1996: D Xu; C Martin; Klaus Schulten
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: thomas bishop; Klaus Schulten
Molecular dynamics study of glucocorticoid receptor-DNA binding.
Proteins 1996;24(1):115-33.
1995: D Xu; M Sheves; Klaus Schulten
Molecular dynamics study of the M412 intermediate of bacteriorhodopsin.
Biophysical journal 1995;69(6):2745-60.
1995: E Erwin; Klaus Obermayer; Klaus Schulten
Models of orientation and ocular dominance columns in the visual cortex: a critical comparison.
Neural computation 1995;7(3):425-68.
1995: I Logunov; W Humphrey; Klaus Schulten; M Sheves
Molecular dynamics study of the 13-cis form (bR548) of bacteriorhodopsin and its photocycle.
Biophysical journal 1995;68(4):1270-82.
1994: W Humphrey; I Logunov; Klaus Schulten; M Sheves
Molecular dynamics study of bacteriorhodopsin and artificial pigments.
Biochemistry 1994;33(12):3668-78.
1993: F Zhou; A Windemuth; Klaus Schulten
Molecular dynamics study of the proton pump cycle of bacteriorhodopsin.
Biochemistry 1993;32(9):2291-306.
1992: W R Bauer; Klaus Schulten
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: M A Shifman; A Windemuth; Klaus Schulten; Perry L Miller
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: D Barsky; Benno Pütz; Klaus Schulten; Richard L Magin
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: Herbert Treutlein; Klaus Schulten; Axel T Brünger; M Karplus; Johann Deisenhofer; Hartmut Michel
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: E Erwin; Klaus Obermayer; Klaus Schulten
Self-organizing maps: ordering, convergence properties and energy functions.
Biological cybernetics 1992;67(1):47-55.
1992: E Erwin; Klaus Obermayer; Klaus Schulten
Self-organizing maps: stationary states, metastability and convergence rate.
Biological cybernetics 1992;67(1):35-45.
1991: K Boehncke; M Nonella; Klaus Schulten; A H Wang
Molecular dynamics investigation of the interaction between DNA and distamycin.
Biochemistry 1991;30(22):5465-75.
1991: M A Shifman; A Windemuth; Klaus Schulten; Perry L Miller
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: Klaus Obermayer; H Ritter; Klaus Schulten
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.