Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First‐Principles Simulation Study (English)
- New search for: Nenov, Artur
- New search for: a Beccara, Silvio
- New search for: Rivalta, Ivan
- New search for: Cerullo, Giulio
- New search for: Mukamel, Shaul
- New search for: Garavelli, Marco
- New search for: Nenov, Artur
- New search for: a Beccara, Silvio
- New search for: Rivalta, Ivan
- New search for: Cerullo, Giulio
- New search for: Mukamel, Shaul
- New search for: Garavelli, Marco
In:
ChemPhysChem
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15
, 15
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3282-3290
;
2014
- Article (Journal) / Electronic Resource
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Title:Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First‐Principles Simulation Study
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Contributors:Nenov, Artur ( author ) / a Beccara, Silvio ( author ) / Rivalta, Ivan ( author ) / Cerullo, Giulio ( author ) / Mukamel, Shaul ( author ) / Garavelli, Marco ( author )
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Published in:ChemPhysChem ; 15, 15 ; 3282-3290
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Publisher:
- New search for: WILEY‐VCH Verlag
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Publication date:2014-10-20
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Size:9 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 15, Issue 15
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 3137
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Cover Picture: Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian (ChemPhysChem 15/2014)Park, Jae Woo / Rhee, Young Min et al. | 2014
- 3138
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Inside Cover: The Fenna–Matthews–Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description (ChemPhysChem 15/2014)Jurinovich, Sandro / Curutchet, Carles / Mennucci, Benedetta et al. | 2014
- 3139
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Calculation of Complex Bio‐ and Organic Systems: From Ground‐State Reactivity and Spectroscopy to Excited‐State DynamicsDreuw, Andreas / Beran, Gregory J. O. / Neugebauer, Johannes et al. | 2014
- 3142
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Graphical Abstract: ChemPhysChem 15/2014| 2014
- 3149
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Editors' Selection: ChemPhysChem 15/2014| 2014
- 3152
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Spotlights on our sister journals: ChemPhysChem 15/2014| 2014
- 3157
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Assessments of Semilocal Density Functionals and Corrections for Carbon Dioxide Adsorption on Metal–Organic FrameworksJi, Hyunjun / Park, Joonho / Cho, Moses / Jung, Yousung et al. | 2014
- 3166
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Photochemistry and Photophysics at Extended Seams of Conical IntersectionBlancafort, Lluís et al. | 2014
- 3183
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Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic HamiltonianPark, Jae Woo / Rhee, Young Min et al. | 2014
- 3194
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The Fenna–Matthews–Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM DescriptionJurinovich, Sandro / Curutchet, Carles / Mennucci, Benedetta et al. | 2014
- 3205
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Wavefunction in Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities?Daday, Csaba / König, Carolin / Neugebauer, Johannes / Filippi, Claudia et al. | 2014
- 3218
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A Density‐Based Adaptive Quantum Mechanical/Molecular Mechanical MethodWaller, Mark P. / Kumbhar, Sadhana / Yang, Jack et al. | 2014
- 3226
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Protocol for Rational Design of Covalently Interacting InhibitorsSchmidt, Thomas C. / Welker, Armin / Rieger, Max / Sahu, Prabhat K. / Sotriffer, Christoph A. / Schirmeister, Tanja / Engels, Bernd et al. | 2014
- 3236
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The Lineshape of the Electronic Spectrum of the Green Fluorescent Protein Chromophore, Part I: Gas PhaseDavari, Mehdi D. / Ferrer, Francisco J. Avila / Morozov, Dmitry / Santoro, Fabrizio / Groenhof, Gerrit et al. | 2014
- 3246
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The Lineshape of the Electronic Spectrum of the Green Fluorescent Protein Chromophore, Part II: Solution PhaseAvila Ferrer, Francisco J. / Davari, Mehdi D. / Morozov, Dmitry / Groenhof, Gerrit / Santoro, Fabrizio et al. | 2014
- 3258
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Real‐time Simulations of Photoinduced Coherent Charge Transfer and Proton‐Coupled Electron TransferEisenmayer, Thomas J. / Buda, Francesco et al. | 2014
- 3264
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Averaging Techniques for Reaction Barriers in QM/MM SimulationsCooper, April M. / Kästner, Johannes et al. | 2014
- 3270
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Coupled‐Cluster Interaction Energies for 200‐Atom Host–Guest SystemsAndrejić, Milica / Ryde, Ulf / Mata, Ricardo A. / Söderhjelm, Pär et al. | 2014
- 3282
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Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First‐Principles Simulation StudyNenov, Artur / a Beccara, Silvio / Rivalta, Ivan / Cerullo, Giulio / Mukamel, Shaul / Garavelli, Marco et al. | 2014
- 3291
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Nonuniform Continuum Model for Solvatochromism Based on Frozen‐Density Embedding TheoryShedge, Sapana Vitthal / Wesolowski, Tomasz A. et al. | 2014
- 3301
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Interactive Chemical Reactivity ExplorationHaag, Moritz P. / Vaucher, Alain C. / Bosson, Maël / Redon, Stéphane / Reiher, Markus et al. | 2014
- 3320
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Quantum‐Classical Calculation of the Absorption and Emission Spectral Shapes of Oligothiophenes at Low and Room Temperature by First‐Principle CalculationsImprota, Roberto / Ferrer, Francisco J. Avila / Stendardo, Emiliano / Santoro, Fabrizio et al. | 2014
- 3334
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The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect ModelMachado, Francisco B. C. / Aquino, Adélia J. A. / Lischka, Hans et al. | 2014
- 3342
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Computational Reference Data for the Photochemistry of Cyclobutane Pyrimidine DimersBarbatti, Mario et al. | 2014
- 3355
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A Multifrequency Virtual Spectrometer for Complex Bio‐Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll aBarone, Vincenzo / Biczysko, Malgorzata / Borkowska‐Panek, Monika / Bloino, Julien et al. | 2014
- 3365
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Efficient Calculation of Anharmonic Vibrational Spectra of Large Molecules with Localized ModesPanek, Paweł T. / Jacob, Christoph R. et al. | 2014
- 3378
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Protein Structure Prediction: Assembly of Secondary Structure Elements by Basin‐HoppingHoffmann, Falk / Vancea, Ioan / Kamat, Sanjay G. / Strodel, Birgit et al. | 2014
- 3392
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Carotenoids as a Shortcut for Chlorophyll Soret‐to‐Q Band Energy FlowGötze, Jan P. / Kröner, Dominik / Banerjee, Shiladitya / Karasulu, Bora / Thiel, Walter et al. | 2014
- 3403
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Inside Back Cover: Wavefunction in Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities? (ChemPhysChem 15/2014)Daday, Csaba / König, Carolin / Neugebauer, Johannes / Filippi, Claudia et al. | 2014
- 3404
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Back Cover: A Density‐Based Adaptive Quantum Mechanical/Molecular Mechanical Method (ChemPhysChem 15/2014)Waller, Mark P. / Kumbhar, Sadhana / Yang, Jack et al. | 2014