TD-DFT/Molecular Mechanics Study of the Photinus pyralis Bioluminescence System (Unknown)
- New search for: Pinto da Silva, Luís
- New search for: Esteves da Silva, Joaquim C. G.
- New search for: Pinto da Silva, Luís
- New search for: Esteves da Silva, Joaquim C. G.
In:
The Journal of Physical
Chemistry B
;
116
, 6
;
2008-2013
;
2012
- Article (Journal) / Electronic Resource
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Title:TD-DFT/Molecular Mechanics Study of the Photinus pyralis Bioluminescence System
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Additional title:J. Phys. Chem. B
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Contributors:Pinto da Silva, Luís ( author ) / Esteves da Silva, Joaquim C. G. ( author )
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Published in:The Journal of Physical Chemistry B ; 116, 6 ; 2008-2013
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Publisher:
- New search for: American Chemical Society
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Publication date:2012-02-16
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ISSN:
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Coden:
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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:Unknown
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Source:
Table of contents – Volume 116, Issue 6
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.
- 1745
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Evidence of Coexistence of Change of Caged Dynamics at T g and the Dynamic Transition at T d in Solvated ProteinsCapaccioli, S. / Ngai, K. L. / Ancherbak, S. / Paciaroni, A. et al. | 2012
- 1758
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Molecular Dynamics of a Polyaniline/β-Cyclodextrin Complex Investigated by 13C Solid-State NMRHasegawa, Yuichi / Inoue, Yoshio / Deguchi, Kenzo / Ohki, Shinobu / Tansho, Masataka / Shimizu, Tadashi / Yazawa, Koji et al. | 2012
- 1758
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Molecular Dynamics of a Polyaniline/ beta -Cyclodextrin Complex Investigated by ^1^3C Solid-State NMRHasegawa, Y. / Inoue, Y. / Deguchi, K. / Ohki, S. / Tansho, M. / Shimizu, T. / Yazawa, K. et al. | 2012
- 1765
-
Intermolecular Interactions between Doxorubicin and beta -Cyclodextrin 4-Methoxyphenol ConjugatesSwiech, O. / Mieczkowska, A. / Chmurski, K. / Bilewicz, R. et al. | 2012
- 1765
-
Intermolecular Interactions between Doxorubicin and β-Cyclodextrin 4-Methoxyphenol ConjugatesSwiech, Olga / Mieczkowska, Anna / Chmurski, Kazimierz / Bilewicz, Renata et al. | 2012
- 1772
-
Irradiation of Ethylene/Styrene Copolymers: Evidence of Sensitization of the Aromatic Moiety As Counterpart of the Radiation Protection EffectFerry, M. / Bessy, E. / Harris, H. / Lutz, P.J. / Ramillon, J.-M. / Ngono-Ravache, Y. / Balanzat, E. et al. | 2012
- 1777
-
Orientational Dynamics of Room Temperature Ionic Liquid/Water Mixtures: Water-Induced StructureSturlaugson, Adam L. / Fruchey, Kendall S. / Fayer, Michael D. et al. | 2012
- 1788
-
Novel Polypropylene/Inorganic Fullerene-like WS2 Nanocomposites Containing a β-Nucleating Agent: Isothermal Crystallization and Melting BehaviorNaffakh, Mohammed / Marco, Carlos / Ellis, Gary et al. | 2012
- 1788
-
Novel Polypropylene/Inorganic Fuilerene-like WS~2 Nanocomposites Containing a beta -Nucleating Agent: Isothermal Crystallization and Melting BehaviorNaffakh, M. / Marco, C. / Ellis, G. et al. | 2012
- 1796
-
Formation of Tubular Scrolls with Controlled Internal CavityHan, Minwoo / Sim, Eunji et al. | 2012
- 1802
-
Calorimetric Behavior of Phosphatidylcholine/Phosphatidylethanolamine Bilayers is Compatible with the Superlattice ModelCheng, Kwan Hon / Virtanen, Jorma / Somerharju, Pentti et al. | 2012
- 1812
-
Weak Epitaxy Growth of Phthalocyanine on Inducing Layers of Fluorinated 5,5″-Bis(biphenyl-4-yl)-2,2′:5′,2″-terthiopheneQiao, Xiaolan / Huang, Lizhen / Zhang, Jidong / Tian, Hongkun / Geng, Yanhou / Yan, Donghang et al. | 2012
- 1819
-
Wetting-Induced Budding of Vesicles in Contact with Several Aqueous PhasesLi, Yanhong / Kusumaatmaja, Halim / Lipowsky, Reinhard / Dimova, Rumiana et al. | 2012
- 1824
-
Rotational Diffusion of Neutral and Charged Solutes in 1-Butyl-3-Methylimidazolium-Based Ionic Liquids: Influence of the Nature of the Anion on Solute RotationKarve, Lalita / Dutt, G. B. et al. | 2012
- 1831
-
Molecular Dynamics Simulation Studies of the Interactions between Ionic Liquids and Amino Acids in Aqueous SolutionTomé, Luciana I. N. / Jorge, Miguel / Gomes, José R. B. / Coutinho, João A. P. et al. | 2012
- 1843
-
Transfer of the K+ Cation Across a Water/Dichloromethane Interface: A Steered Molecular Dynamics Study with Implications in Cation ExtractionValente, Mário / Sousa, Sérgio Filipe / Magalhães, A. L. / Freire, Cristina et al. | 2012
- 1850
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Recrystallization of Water in Non-Water-Soluble (Meth)Acrylate Polymers Is Not Rare and Is Not DevitrificationGemmei-Ide, Makoto / Ohya, Atsushi / Kitano, Hiromi et al. | 2012
- 1858
-
Controlling Hydrolysis Reaction Rates with Binary Ionic Liquid Mixtures by Tuning Hydrogen-Bonding InteractionsWeber, Cameron C. / Masters, Anthony F. / Maschmeyer, Thomas et al. | 2012
- 1865
-
Modeling Temperature Dependency of Amine Basicity Using PCM and SM8T Implicit Solvation ModelsGupta, Mayuri / da Silva, Eirik F. / Svendsen, Hallvard F. et al. | 2012
- 1876
-
Kinetics of the Terminal Electron Transfer Step in Cytochrome c OxidaseTipmanee, Varomyalin / Blumberger, Jochen et al. | 2012
- 1884
-
Interaction of I50V Mutant and I50L/A71V Double Mutant HIV-Protease with Inhibitor TMC114 (Darunavir): Molecular Dynamics Simulation and Binding Free Energy StudiesMeher, Biswa Ranjan / Wang, Yixuan et al. | 2012
- 1884
-
Interaction of IS0V Mutant and IS0L/A71V Double Mutant HIV-Protease with Inhibitor TMC114 (Darunavir): Molecular Dynamics Simulation and Binding Free Energy StudiesMeher, B.R. / Wang, Y. et al. | 2012
- 1901
-
Molecular Origin of Piezo- and Pyroelectric Properties in Collagen Investigated by Molecular Dynamics SimulationsRavi, Harish Kumar / Simona, Fabio / Hulliger, Jürg / Cascella, Michele et al. | 2012
- 1908
-
The Spectroscopic Basis of Fluorescence Triple Correlation SpectroscopyRidgeway, William K. / Millar, David P. / Williamson, James R. et al. | 2012
- 1920
-
Time-Resolved Spectroscopy of Ultrafast Photoisomerization of Octopus Rhodopsin under PhotoexcitationYabushita, Atsushi / Kobayashi, Takayoshi / Tsuda, Motoyuki et al. | 2012
- 1927
-
Volumetric Properties of the Molten Globule State of Cytochrome c in the Thermal Three-State Transition Evaluated by Pressure Perturbation CalorimetryNakamura, Shigeyoshi / Kidokoro, Shun-ichi et al. | 2012
- 1933
-
Rigid Body Brownian Dynamics as a Tool for Studying Ion Channel BlockersGordon, Dan / Chen, Rong / Ho, Junming / Coote, Michelle L. / Chung, Shin-Ho et al. | 2012
- 1942
-
Determination of the Distance between the Mo(V) and Fe(III) Heme Centers of Wild Type Human Sulfite Oxidase by Pulsed EPR SpectroscopyAstashkin, Andrei V. / Rajapakshe, Asha / Cornelison, Matthew J. / Johnson-Winters, Kayunta / Enemark, John H. et al. | 2012
- 1951
-
Probing the Interaction of Human Serum Albumin with Ciprofloxacin in the Presence of Silver Nanoparticles of Three Sizes: Multispectroscopic and ζ Potential InvestigationIranfar, Hediyeh / Rajabi, Omid / Salari, Roshanak / Chamani, Jamshidkhan et al. | 2012
- 1965
-
Investigation of Methanol–Peptide Nuclear Overhauser Effects through Molecular Dynamics SimulationsGerig, J. T. et al. | 2012
- 1974
-
Computed and Experimental Chemical Shift Parameters for Rigid and Flexible YAF Peptides in the Solid StatePawlak, Tomasz / Trzeciak-Karlikowska, Katarzyna / Czernek, Jiri / Ciesielski, Wlodzimierz / Potrzebowski, Marek J. et al. | 2012
- 1984
-
QM/MM Molecular Dynamics Study of Purine-Specific Nucleoside HydrolaseWu, Ruibo / Gong, Wengjin / Liu, Ting, / Zhang, Yingkai / Cao, Zexing et al. | 2012
- 1992
-
Protein Dynamics of Isolated Chains of Recombinant Human Hemoglobin Elucidated by Time-Resolved Resonance Raman SpectroscopyYamada, Kenta / Ishikawa, Haruto / Mizutani, Yasuhisa et al. | 2012
- 1999
-
Sequence Context Effect on Strand Slippage in Natural DNA Primer–TemplatesChi, Lai Man / Lam, Sik Lok et al. | 2012
- 2008
-
TD-DFT/Molecular Mechanics Study of the Photinus pyralis Bioluminescence SystemPinto da Silva, Luís / Esteves da Silva, Joaquim C. G. et al. | 2012
- 2014
-
Bacteriochlorophyll Excited-State Quenching Pathways in Bacterial Reaction Centers with the Primary Donor OxidizedPan, Jie / Lin, Su / Woodbury, Neal W. et al. | 2012