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Impressum
(c) 2002 BMO

The following 126 papers have recently been published at the BMO.

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2016 
"A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water"
Magnus Schwörer, Christoph Wichmann, and Paul Tavan
J. Chem. Phys. 144, 114504 (2016).
Details

2015 
"Linearly Scaling and Almost Hamiltonian Dielectric Continuum Molecular Dynamics Simulations through Fast Multipole Expansions"
Konstantin Lorenzen, Gerald Mathias, and Paul Tavan
J. Chem. Phys. 143, 184114 (2015).
Details

"Utilizing Fast Multipole Expansions for Efficient and Accurate Quantum-Classical Molecular Dynamics Simulations"
Magnus Schwörer, Konstantin Lorenzen, Gerald Mathias, and Paul Tavan
J. Chem. Phys. 142, 104108 (2015)
Details

2014 
"Exploring Hamiltonian Dielectric Solvent Molecular Dynamics"
S. Bauer, P. Tavan, G. Mathias
Chem. Phys. Lett. 612 20-24 (2014).
Details

"Including the Dispersion Attraction into Structure-Adapted Fast Multipole Expansions for MD Simulations"
Konstantin Lorenzen, Christoph Wichmann and Paul Tavan
J. Chem. Theory. Comput. 10, 3244-3259 (2014).
Details

"Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description."
Sebastian Bauer, Gerald Mathias, and Paul Tavan
J. Chem. Phys. 140, 104102 (2014).
Details

"Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics."
Sebastian Bauer, Paul Tavan, and Gerald Mathias
J. Chem. Phys. 140, 104103 (2014)
Details

"Piperazine derivatives inhibit PrP/PrPres propagation in vitro and in vivo"
Fabienne Leidel, Martin Eiden, Markus Geissen, Thomas Hirschberger, Paul Tavan, Armin Giese, Hans A. Kretzschmar, Hermann Schätzl, and Martin H. Groschup
Biochem. Biophys. Res. Commun. 445, 23-29 (2014).
Details

"Polarizable Six-Point Water Models from Computational and Empirical Optimization"
Philipp Tröster, Konstantin Lorenzen, and Paul Tavan
J. Phys. Chem. B 118, 1589-1602 (2014).
Details

"The Microscopic Physical Cause for the Density Maximum of Liquid Water"
Philipp Tröster and Paul Tavan
J. Phys. Chem. Lett. 5, 138−142 (2014).
Details

2013 
"Polarizable water models from mixed computational and empirical optimization"
Philipp Tröster, Konstantin Lorenzen, Magnus Schwörer, Paul Tavan
J. Phys. Chem. B 117, 9486−9500 (2013).
Details

"Coupling DFT to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations"
Magnus Schwörer, Benedikt Breitenfeld, Philipp Tröster, Sebastian Bauer, Konstantin Lorenzen, Paul Tavan, and Gerald Mathias
J. Chem. Phys. 138, 244103 (2013)
Details

"Anle138b: a novel oligomer modulator for disease‑modifying therapy of neurodegenerative diseases such as prion and Parkinson's disease"
Jens Wagner, Sergey Ryazanov, Andrei Leonov, Johannes Levin, Song Shi, Felix Schmidt, Catharina Pri, Francisco Pan‑Montojo, Uwe Bertsch, Gerda Mitteregger‑Kretzschmar, Markus Geissen, Martin Eiden, Fabienne Leidel, Thomas Hirschberger, Andreas A. Deeg, Julian J. Krauth, Wolfgang Zinth, Paul Tavan, Jens Pilger, Markus Zweckstetter, Tobias Frank, Mathias Bähr, Jochen H. Weishaupt, Manfred Uhr, Henning Urlaub, Ulrike Teichmann, Matthias Samwer, Kai Bötzel, Martin Groschup, Hans Kretzschmar, Christian Griesinger, Armin Giese
Acta Neuropathologica 125, 795-813 (2013).
Details

2012 
"Optimizing the accuracy and efficiency of fast hierarchical multipole expansions for MD simulations"
Konstantin Lorenzen, Magnus Schwörer, Philipp Tröster, Simon Mates, and Paul Tavan
J. Chem. Theory Comput. 8, 3628-3636 (2012).
Details

"Electronic excitations in long polyenes revisited"
Maximilian Schmidt and Paul Tavan
J. Chem. Phys. 136, 124309 (2012).
Details

"Vibrational Spectra of Phosphate Ions in Aqueous Solution Probed by First Principles Molecular Dynamics"
Joost VandeVondele, Philipp Tröster, Paul Tavan, and Gerald Mathias
J. Phys. Chem. A 116, 24662474 (2012).
Details

2011 
"DFT/MM description of flavin IR spectra in BLUF domains"
Benjamin Rieff, Sebastian Bauer, Gerald Mathias, and Paul Tavan
J. Phys. Chem. B 115, 11239-11253 (2011).
Details

"Diphenyl-pyrazole derived compounds increase survival time of mice after prion infection"
Fabienne Leidel, Martin Eiden, Markus Geissen, Hans A. Kretzschmar, Armin Giese, Thomas Hirschberger, Paul Tavan, Hermann M. Schätzl, and Martin H. Groschup
Antimicrob. Agents and Chemother. 55, 47744781 (2011).
Details

"From high-throughput cell culture screening to mouse model: Identification of new inhibitor classes against prion disease"
Markus Geissen, Fabienne Leidel, Martin Eiden,Thomas Hirschberger, Christine Fast, Uwe Bertsch, Paul Tavan, Armin Giese, Hans A. Kretzschmar, Hermann M. Schätzl, and Martin H. Groschup
ChemMedChem 6, 1928 1937 (2011).
Details

"IR spectra of flavins in solution: DFT/MM description of redox effects"
Benjamin Rieff, Sebastian Bauer, Gerald Mathias, and Paul Tavan
J. Phys. Chem. B 115, 2117-2123 (2011).
Details

"Density functional theory combined with molecular mechanics: The infrared spectra of flavin in solution."
Benjamin Rieff, Gerald Mathias, Sebastian Bauer, and Paul Tavan
Photochem. Photobiol. 87: 511-523 (2011).
Details

2010 
"Spectroscopic polarizable force field for amide groups in polypeptides"
Bernhard Schropp, Christoph Wichmann, and Paul Tavan
J. Phys. Chem. B 114, 6740-6750 (2010).
Details

"Relaxation time prediction for a light switchable peptide by molecular dynamics"
Robert Denschlag, Wolfgang J. Schreier, Benjamin Rieff, Tobias E. Schrader, Florian O. Koller, Luis Moroder, Wolfgang Zinth, and Paul Tavan
Phys. Chem. Chem. Phys.12, 6204-6218 (2010)
Details

"Flexibility does not change the polarizability of water molecules in the liquid"
Bernhard Schropp and Paul Tavan
J. Phys. Chem. B 114, 2051-2057 (2010)
Details

"Highly polar environments catalyze the unfolding of PrPC helix 1"
Martin Lingenheil, Robert Denschlag, and Paul Tavan
Eur. Biophys. J. 39, 1177-1192 (2010).
Details

2009 
"Efficiency of exchange schemes in replica exchange"
Martin Lingenheil, Robert Denschlag, Gerald Mathias, Paul Tavan
Chem. Phys. Lett. 478, 8084 (2009)
Details

"Simulated solute tempering"
Robert Denschlag, Martin Lingenheil, Paul Tavan, Gerald Mathias
J. Chem. Theory Comput. 5, 28474-2857 (2009)
Details

"The infra-red spectra of the retinal chromophore in bacteriorhodopsin calculated by a DFT/MM approach"
Galina Babitzki, Gerald Mathias, Paul Tavan
J. Phys. Chem. B 113, 10496-10508 (2009).
Details

"Polarization effects stabilize bacteriorhodopsin's chromophore binding pocket: A molecular dynamics study."
Galina Babitzki, Robert Denschlag, Paul Tavan
J. Phys. Chem. B 113, 1048310495 (2009)
Details

"Optimal temperature ladders in replica exchange simulations."
Robert Denschlag, Martin Lingenheil, Paul Tavan
Chem. Phys. Lett. 473, 193-195 (2009)
Details

2008 
"A Polarizable Force Field for Computing the Infrared Spectra of the Polypeptide Backbone"
Verena Schultheis, Rudolf Reichold, Bernhard Schropp, and Paul Tavan
J. Phys. Chem. B 112, 12217-12230 (2008)
Details

"The polarizability of point-polarizable water models: DFT/MM results"
Bernhard Schropp and Paul Tavan
J. Phys. Chem. B 112, 6233-6240 (2008)
Details

"Efficiency reduction and pseudo-convergence in replica exchange sampling of peptide folding-unfolding equilibria"
Robert Denschlag, Martin Lingenheil, and Paul Tavan
Chem. Phys. Lett. 458, 244-248 (2008)
Details

"The "Hot-Solvent/Cold-Solute" Problem Revisited"
Martin Lingenheil, Robert Denschlag, Rudolf Reichold, and Paul Tavan
J. Chem. Theory Comput. 4, 1293-1306 (2008)
Details

"Conformational Properties of 4-Mercaptoproline and Related Derivatives"
Sergio A. Cadamuro, Rudolf Reichold, Ulrike Kusebauch, Hans-Jürgen Musiol, Christian Renner, Paul Tavan, Luis Moroder
Angew. Chem. Int. Ed. 47, 2143-2146 (2008)
Details

"Konformationseigenschaften des 4-Mercaptoprolins und verwandter Derivate"
Sergio A. Cadamuro, Rudolf Reichold, Ulrike Kusebauch, Hans-Jürgen Musiol, Christian Renner, Paul Tavan, Luis Moroder
Angew. Chem. 120, 2174-2177 (2008)
Details

2007 
"Light triggered β-hairpin folding and unfolding"
T. E. Schrader, W. J. Schreier, T. Cordes, F. O. Koller, G. Babitzki, R. Denschlag, C. Renner, S.-L. Dong, M. Löweneck, L. Moroder, P. Tavan, and W. Zinth
Proc. Natl. Acad. Sci. USA 104 (2007) 15729-15734.
Details

"Ultrafast Unzipping of a Beta-Hairpin Peptide"
W. Zinth, T. E. Schrader, W. J. Schreier, F. O. Koller, T. Cordes, G. Babitzki, R. Denschlag, P. Tavan, M. Loeweneck, S.-L. Dong, L. Moroder, C. Renner
Ultrafast Phenomena XV, P. Corkum, D. Jonas, R. J. D. Miller, A. M. Weiner, Springer Series in Chemical Physics 88 (2007) 498-500
Details

"Electrostatics of proteins in dielectric solvent continua: I. Newton's third law marries qE forces."
Martina Stork and Paul Tavan
J. Chem. Phys. 126, 165105 (2007)
Details

"Electrostatics of proteins in dielectric solvent continua: II. First applications in molecular dynamics simulations."
Martina Stork and Paul Tavan
J. Chem. Phys. 126, 165106 (2007)
Details

2006 
"Identification of Anti-prion Compounds as Efficient Inhibitors of Polyglutamine Protein Aggregation in a Zebrafish Model"
Niclas W. Schiffer, Sarah A. Broadley, Thomas Hirschberger, Paul Tavan, Hans A. Kretzschmar, Armin Giese, Christian Haass, F. Ulrich Hartl, and Bettina Schmid
J. Biol. Chem. 282, 9195-9203 (2007)
Details

"On the art of computing the IR spectra of molecules in condensed phase. "
Matthias Schmitz and Paul Tavan
In: Modern methods for theoretical physical chemistry of biopolymers.E.B. Starikov, S. Tanaka, J.P. Lewis (Eds.).Chapter 8, pp. 157-177 (Elsevier, Amsterdam, 2006).
Details

"Structural Instability of the Prion Protein upon M205S/R Mutations Revealed by Molecular Dynamics Simulations"
Thomas Hirschberger, Martina Stork, Bernhard Schropp, Konstanze F. Winklhofer, Jörg Tatzelt, and Paul Tavan
Biophys. J. 90, 3908-3918 (2006).
Details

2005 
"Extracting Markov models of peptide conformational dynamics from simulation data"
Verena Schultheis, Thomas Hirschberger, Heiko Carstens, and Paul Tavan
J. Chem. Theory Comput. 1, 515 - 526 (2005).
Details

"Systematic identification of anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets"
Uwe Bertsch, Konstanze F. Winklhofer, Thomas Hirschberger, Jan Bieschke, Petra Weber, F. Ulrich Hartl, Paul Tavan, Jörg Tatzelt, Hans A. Kretzschmar, and Armin Giese
J. Virol. 79 7785-7791 (2005)
Details

"Single Molecule Analysis of Protein Aggregation and Prions by SIFT"
Hans A. Kretzschmar, Uwe Bertsch, Konstanze F. Winklhofer, Thomas Hirschberger, Jan Bieschke, Petra Weber, F. Ulrich Hartl, Paul Tavan, Jörg Tatzelt, and Armin Giese
J Neuropathol Exp Neurol 64 441 (2005)
Details

"MD simulations indicate a possible role of parallel β-helices in seeded aggregation of poly-Gln"
Martina Stork, Armin Giese, Hans A. Kretzschmar, and Paul Tavan
Biophys. J. 88 , 2442-2451 (2005).
Details

"Multiple loop conformations of peptides predicted by molecular dynamics simulations are compatible with NMR"
Heiko Carstens, Christian Renner, Alexander G. Milbradt, Luis Moroder, and Paul Tavan
Biochemistry 44, 4829-4840 (2005).
Details

"A new method to determine the structure of the metal environment in metalloproteins: investigation of the prion protein octapeptide repeat Cu2+ complex"
Matthias Mentler, Andreas Weiss, Klaus Grantner, Pablo del Pino, Dominga Deluca, Stella Fiori, Christian Renner, Wolfram Meyer Klaucke, Luis Moroder, Uwe Bertsch, Hans A. Kretzschmar, Paul Tavan, Fritz G. Parak
Eur. Biophys. J. 34, 97-112 (2005).
Details

"Molecular dynamics simulations of proteins and peptides: Problems, achievements, and perspectives"
Paul Tavan, Heiko Carstens, and Gerald Mathias
In: Protein Folding Handbook. Part I. J. Buchner and T. Kiefhaber (Eds.), Wiley-VCH, Weinheim (2005), 1170-1195.
Details

2004 
"Vibrational spectra from atomic fluctuations in dynamics simulations: II. Solvent-induced frequency fluctuations at femtosecond time-resolution"
Matthias Schmitz and Paul Tavan
J. Chem. Phys. 121, 12247-12258 (2004)
Details

"Vibrational spectra from atomic fluctuations in dynamics simulations: I. Theory, limitations, and a sample application."
Matthias Schmitz and Paul Tavan
J. Chem. Phys. 121, 12233-12246
Details

"Ultrafast conformational dynamics in light triggered cyclic peptides: Femtochemistry and Femtobiology"
W. Zinth, A. Sieg, T. Schrader, S. Spoerlein, P. Hamm, J. Bredenbeck, J. Helbing, C. Renner, L. Moroder, H. Carstens, P. Tavan, J. Wachtveitl
Eds. M. M. Martin and J. T. Hynes, Elesevier (2004) 373 - 379
Details

"IR Spectra of Phosphate Ions in Aqueous Solution:
Predictions of a DFT/MM Approach Compared with Observations"

M Klähn, G Mathias, C Kötting, M Nonella, J Schlitter, K Gerwert, and P Tavan
J. Phys. Chem. A 108, 6186-6194 (2004).
Details

"Angular resolution and range of dipole-dipole correlations in water"
Gerald Mathias and Paul Tavan
J. Chem. Phys. 120, 4393-4403 (2004)
Details

"Continuum description of ionic and dielectric shielding for molecular-dynamics simulations of proteins in solution"
Bernhard Egwolf and Paul Tavan
J. Chem. Phys. 120, 2056-2068 (2004)
Details

2003 
"The Infrared Spectrum of p-Benzoquinone in Water Obtained from a Hybrid Molecular Dynamics Simulation"
Marco Nonella, Gerald Mathias, Paul Tavan
J. Phys. Chem. A 107, 8638 - 8647 (2003)
Details

"Deactivation of Rhodopsin in the transition from the signaling state Meta II to Meta III involves a thermal isomerization of the retinal chromophore C=N double bond"
R. Vogel, F. Siebert, G. Mathias, P. Tavan, G. Fan, and M. Sheves
Biochemistry 42, 9863-9874 (2003)
Details

"A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water "
G. Mathias, B. Egwolf, M. Nonella, and P. Tavan
J. Chem. Phys. 118, 10847-10860 (2003)
Details

"Continuum description of solvent dielectrics in molecular-dynamics simulations of proteins"
B. Egwolf and P. Tavan
J. Chem. Phys. 118: 2039-2056 (2003)
Details

"Structures and vibrational frequencies of the quinones in Rb. Sphaeroides derived by a combined density functional / molecular mechanics approach."
M. Nonella, G. Mathias, M. Eichinger, and P. Tavan
J. Phys. Chem. B 107: 316-322 (2003)
Details

2002 
"Real-time Observation of Conformational Dynamics in Peptide Folding"
W. Zinth, S. Spoerlein, H. Carstens, C. Renner, R. Behrendt, L. Moroder, P. Tavan and J. Wachtveitl
Ultrafast Phenomena XIII, Springer Series in Chem Physics 71, Eds. R.D. Miller, M.M. Murnane, N.F. Scherer, and A.M. Weiner, Springer-Verlag Berlin (2002) 614-618)
Details

"A revised MRCI-algorithm: I. Efficient combination of spin adapatation with individual configuration selection coupled to an effective valence shell Hamiltonian"
P. Strodel and P. Tavan
J. Chem. Phys. 117: 4667-4676 (2002)
Details

"A revised MRCI-algorithm coupled to an effective valence-shell Hamiltonian: II. Application to the valence excitations of butadiene "
P. Strodel, P. Tavan
J. Chem. Phys. 117: 4677-4683 (2002)
Details

"Ultrafast spectroscopy reveals subnanosecond peptide conformational dynamics and validates molecular dynamics simulation"
S. Spörlein, H. Carstens, H. Satzger, C. Renner, R. Behrendt, L. Moroder, P. Tavan, W. Zinth, and J. Wachtveitl
Proc. Natl. Acad. Sci. (USA) 99 (2002) 7998 - 8002
Details

2001 
"Vibrational Analysis of Carbonyl Modes in Different Stages of Light-Induced Cyclopyrimidine Dimer Repair Reactions"
M. Schmitz, P. Tavan, M. Nonella
Chem. Phys. Lett. 349, 342-348 (2001)
Details

2000 
"Generalized radial basis function networks for classification and novelty detection: Self-organization of optimal Bayesian decision"
S. Albrecht, J. Busch, M. Kloppenburg, F. Metze und P. Tavan
Neural Networks 13: 1075-1093 (2000)
Details

"FBR: A robust method to determine the basis matrix of the Bravais lattice from oscillation images. "
K. Döhring and P. Tavan
J. Appl. Cryst. 33: 958-963 (2000)
Details

1999 
"A hybrid method for solutes in complex solvents: Density functional theory combined with empirical force fields"
M. Eichinger, P. Tavan, J. Hutter und M. Parrinello
J. Chem. Phys. 110: 10452-10467 (1999)
Details

1998 
"Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?"
H. Grubmüller, P. Tavan
J. Comput. Chem. 19: 1543-1552, 1998
Details

"Conformational dynamics simulations of proteins."
M. Eichinger, B. Heymann, H. Heller, H. Grubmüller, and P. Tavan
IN: P. Deuflhard et al., eds., Computaional Molecular Dynamics: Challenges, Methods, Ideas. Vol. 4 of Lecture Notes in Computational Science and Engineering. (Springer, Heildelberg, 1998) pp. 74-93.
Details

1997 
"Molekulare Erkennung genau betrachtet"
H. Grubmüller, B. Heymann, P. Tavan
Spektrum der Wissenschaft März 1997, 14-16
Details

"Deterministic annealing for density estimation by multivariate normal mixtures"
M. Kloppenburg, P. Tavan
Phys. Rev E 55: 2089-2092, 1997
Details

"FAMUSAMM: A new algorithm for rapid evaluation of electrostatic interactions in molecular dynamics simulations"
M. Eichinger, H. Grubmüller, H. Heller, P. Tavan
J. Comput. Chem. 18: 1729-1749, 1997
Details

1996 
"Ligand-receptor binding: Molecular mechanics calculation of the streptavidin-biotin rupture force"
H. Grubmüller, B. Heymann, P. Tavan
Science 271: 997-999, 1996
Details

"Fast version of the structure adapted multipole method -- Efficient calculation of electrostatic forces in protein dynamics"
C. Niedermeier, P. Tavan
Molecular Simulation 17: 57-66, 1996
Details

1995 
"An unscaled quantum mechanical force field for p-benzoquinone"
M. Nonella, P. Tavan
Chem. Phys. 199: 19-32, 1995
Details

"Asymptotic level density in topological feature maps"
D.R. Dersch, P. Tavan
IEEE Transactions on Neural Networks 6: 230-236, 199
Details

"Conformational dynamics of proteins: Beyond the nanosecond time scale"
H. Grubmüller, N. Ehrenhofer, P. Tavan
Proceedings of the Workshop `Nonlinear Excitations in Biomolecules', May 30-June 4, 1994, Les Houches (France) Centre de Physique des Houches (France), Springer (1995), 231-240
Details

"Quantum chemical normal mode analysis for interpretation of vibrational spectra of biomolecules: State of the art"
P. Tavan
Proceedings of the 6th European Conference on the Spectroscopy of Biological Molecules (ECSBM95), Villeneuve d'Asq (France) J. C.\ Merlin, S. Turrell, and J. P. Huvenne, eds., Kluwer Academic Publishers (Dordrecht, Holland, 1995), 3-6
Details

1994 
"Load balanced vector quantization"
D. R. Dersch, P. Tavan
Proceedings of the ICANN'94, Sorrento M. Moreno and P.G. Morasso, eds., Springer (London 1994), 1067-1070
Details

"Toplogical feature maps with self-organized lateral connections: A population-coded one-layer model of associative memory"
C. Hillermeier, N. Kunstmann, B. Rabus, P. Tavan
Biol. Cybern. 72: 103-117, 1994
Details

"Molecular dynamics of conformational substates for a simplified protein model"
H. Grubmüller, P. Tavan
J. Chem. Phys. 101: 5047-5057, 1994
Details

"Control of annealing in minimal free energy vector quantization"
D. R. Dersch, P. Tavan
Proceedings of the IEEE International Conference on Neural Networks (ICNN'94), Orlando, Florida, 1994 IEEE (Piscataway, New Jersey, 1994), 698-703
Details

"Ein hypothesenbildender Assoziativspeicher in phasenkodierter Netzwerkarchitektur."
C. Hillermeier, N. Kunstmann, P. Tavan
Statusseminar des BMFT Neuroinformatik, Oktober 1992, Schloß Maurach M. van der Meer, Ed., Projektträger Informationstechnik des BMFT bei der DLR (Berlin 1994) 389-398
Details

"Regularized vector quantization for phoneme classification"
H. Kühnel, P. Tavan
Proceedings of the ICANN'94, Sorrento M. Moreno and P.G. Morasso, eds., Springer (London 1994), 937-940
Details

"An associative memory that can form hypotheses: A phase-coded neural network"
N. Kunstmann, C. Hillermeier, B. Rabus, P. Tavan
Biol. Cybern. 72: 118-132, 1994
Details

"A structure-adapted multipole method for electrostatic interactions in protein dynamics"
C. Niedermeier, P. Tavan
J. Chem. Phys. 101 : 734-748, 1994
Details

1993 
"Semiempirical normal modes analysis of naphtoquinone"
J.-R. Burie, M. Nonella, E. Nabedryk, P. Tavan, J. Breton
Proceedings of the Fifth European Conference on the Spectroscopy of Biological Macromolecules, 1993
Details

"Population dynamics on the basis of vector quantization: a method for auto-association and classification "
C. Hillermeier, N. Kunstmann, P. Tavan
Proceedings of the ICANN'93, Amsterdam S. Gielen and B. Kappen, eds., Springer (London 1993), 576-579
Details

"Associative memories that can form hypotheses: phase coded network architectures"
N. Kunstmann, C. Hillermeier, P. Tavan
Proceedings of the ICANN'93, Amsterdam S. Gielen and B. Kappen, eds., Springer (London 1993), 504-507
Details

"BR at work: A computer animation for the 13-14-cis model of the photochemical cycle of bacteriorhodopsin. "
H. Grubmüller, K. Döhring, P. Tavan, M. Nonella, and D. Oesterhelt
J. Mol. Graphics 11: 258.
Details

1992 
"Semistochastic approach to many electron systems"
M.K. Großjean, M.F. Großjean, P. Tavan, K. Schulten
J. Chem. Phys. 97: 1865-1875, 1992
Details

1991 
"Structural investigation of bacteriorhodopsin and some of its photoproducts by polarized FTIR-difference spectroscopy and photoselection"
K. Fahmy, F. Siebert, P. Tavan
Biophys. J. 60: 989-1001, 1991
Details

"Selbstorganisation von Assoziativspeichern und Musterklassifikatoren: Rekurrente Signalverarbeitung auf topologischen Merkmalskarten"
P. Tavan, H. Grubmüller
Kleinheubacher Berichte, Bd. 34 DBP Telekom, Forschungsinstitut beim FTZ, Darmstadt, pp. 573-582, 1991
Details

"A network for discriminant analysis"
H. Kühnel, P. Tavan
Proceedings of the ICANN, Helsinki T. Kohonen, K. Mäkisara, O. Simula and J. Kangas, Eds., Elsevier Science Publishers, Amsterdam, pp. 1053-1056, 1991
Details

1990 
"Self-organization of associative memory and pattern classification: Recurrent signal processing on topological feature maps"
P. Tavan, H. Grubmüller, H. Kühnel
Biol. Cybern. 64: 95-105, 1990
Details

"Quantumchemical vibrational analysis of the retinal chromophore of bacteriorhodopsin"
M.F. Großjean, P. Tavan, K. Schulten
J. Phys. Chem. 94: 8059-8069, 1990
Details

"The anti-Hebb rule derived from information theory"
J. Rubner, K. Schulten, P. Tavan
Parallel processing in neural systems and computers R. Eckmiller, G. Hartmann and G. Hauske, Eds., Elsevier, North-Holland, pp. 365-368, 1990
Details

"A self-organizing network for complete feature extraction"
J. Rubner, K. Schulten, P. Tavan
Parallel processing in neural systems and computers R. Eckmiller, G. Hartmann and G. Hauske, Eds., Elsevier, North-Holland, pp. 365-368, 1990
Details

1989 
"A self-organizing network for principal component analysis"
J. Rubner, P. Tavan
Europhys. Lett. 10: 693-698, 1989
Details

"The photoisomerization in bacteriorhodopsin studied by FTIR linear dichroism and photoselection experiments combined with quantumchemical theoretical analysis"
K. Fahmy, M.F. Großjean, F. Siebert, P. Tavan
J. Mol. Struct. 214: 257-288, 1989
Details

"Can normal mode analysis reveal the geometry of the L550 chromophore of bacteriorhodopsin?"
M.F. Großjean, P. Tavan, K. Schulten
Eur. Biophys. J. 16: 341-349
Details

1988 
"Stereodynamic coupling of light energy and ion transport in the retinal proteins bacteriorhodopsin and halorhodops"
P. Tavan
Ber. Bunsenges. Phys. Chem 92: 1040-1045, 1988
Details

"Observation of `N' in the photocycle of bacteriorhodopsin: A satisfactory confirmation of theoretical predictions"
M.F. Großjean, P. Tavan
Transport through Membranes: Carriers, Channels and Pumps A. Pullman, Ed., D. Reidel Publishing Company, Dordrecht: Holland, pp. 399-408, 1988
Details

"Quasi-particle excitations in polyenes and polyacetylene"
P. Tavan. K. Schulten
Nonlinear Optical Properties of Polymers, A.J. Heeger, J. Orenstein, and D. Ulrich, Eds., Materials Research Society, Pittsburgh, pp. 163-170, 1988
Details

"Ground state of spin liquids, hole-hole attraction and high-Tc superconductivity"
P. Tavan
Z. Phys. B 72: 277-304, 1988
Details

"Wavelength regulation in bacteriorhodopsin and halorhodopsin: A PPP-MRD-CI study of retinal dyes"
M.F. Großjean, P. Tavan
J. Chem. Phys. 88: 4884-4896, 1988
Details

"Niedrig-dimensionale korrelierte Elektronensysteme: Polyacetylen und Hochtemperatur-Supraleiter "
Paul Tavan
Habilitationsschrift, Fakultät für Physik, Technische Universität München
Details

1987 
"Electronic excitations in finite and infinite polyenes"
P. Tavan, K. Schulten
Phys. Rev. B 36: 4337-4358, 1987
Details

1986 
"The low-lying electronic excitations in long polyenes: A PPP-MRD-CI study"
P. Tavan, K. Schulten
J. Chem. Phys. 85: 6602-6609, 1986
Details

"Evidence for a 13,14-cis cycle in bacteriorhodopsin"
P. Tavan, K. Schulten
Biophys. J. 81: 81-89, 1986
Details

"A model for ion translocation in halorhodopsin by trans-cis isomerization of its retinal moiety"
D. Oesterhelt, P. Hegemann, P. Tavan, K. Schulten
Eur. Biophys. J. 14: 123-129, 1986
Details

1985 
"A model for the lateral diffusion of ``stiff'' chains in a lipid bilayer"
W. Nadler, P. Tavan, K. Schulten
Eur. Biophys. J. 12: 25-31, 1985
Details

"The effect of protonation and electrical interactions on the stereochemistry of retinal Schiff bases"
P. Tavan, K. Schulten, D. Oesterhelt
Biophys. J. 47: 415-430, 1985
Details

"Substituents at the C13 position of retinal and their influence on the function of bacteriorhodopsin"
P. Tavan, K. Schulten, W.Gärtner, D. Oesterhelt
Biophys. J. 47: 349-355, 1985
Details

1984 
"The effect of protonation on the thermal isomerization of stilbazolium betaines"
K. Schulten, P. Tavan
Chem. Phys. Lett. 110: 191-195, 1984
Details

"An isomerization model for the pump cycle of bacteriorhodopsin"
K. Schulten, Z. Schulten, P. Tavan
Information and energy transduction in biological membranes L. Bolis, E.J.M. Helmreich, and H. Passow, Eds., Allan R. Liss Inc., New York, pp. 113-131, 1984
Details

1983 
"van der Waals model for the surface tenson of liquid 4He near the point"
Paul Tavan and Ben Widom
Phys. Rev. B 27: 180-193, 1983
Details

"On the temperature derivative of the surface tension at a critical end point"
M. Robert, P. Tavan
J. Chem. Phys. 78: 2557-2560, 1983
Details

1981 
"The electronic spectra of aminophenazines"
A. Lange, P. Tavan, D. Schröder, H. Baumgärtel
Ber. Bunsenges. Phys. Chem. 85: 78-85, 1981
Details

1980 
"An efficient approach to CI: General matrix element formulas for spin-coupled particle-hole excitations"
P. Tavan, K. Schulten
J. Chem. Phys. 72: 3547-3576, 1980
Details

1979 
"The 21Ag-11Bu energy gap in the polyenes: An extended configuration interaction study"
P. Tavan, K. Schulten
J. Chem. Phys. 70: 5407-5413, 1979
Details

"Correlation effects in the spectra of polyacenes"
P. Tavan, K. Schulten
J. Chem. Phys. 70: 5414-5421, 1979
Details

1978 
"A mechanism for the light-driven proton pump of Halobacterium halobium"
P. Tavan, K. Schulten
Nature 272: 85-86, 1978
Details

"The `phantom' photochemical singlet state of stilbene and its diphenylpolyene relative"
P. Tavan, K. Schulten
Chem. Phys. Lett. 56: 200-204, 1978
Details


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