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Mise au point d'une station de calcul et de traitement des données RMN = Development of a station of calculation and NMR data processingWerbelow, Lawrence.1994, 12 p.Report

310-Helical Peptide Acting as a Dual Relay for Charge-Hopping Transfer in ProteinsMENG ZHANG; JING ZHAO; HONGFANG YANG et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 21, pp 6385-6393, issn 1520-6106, 9 p.Article

A Strongly Absorbing Class of Non-Natural Labels for Probing Protein Electrostatics and Solvation with FTIR and 2D IR SpectroscopiesWOYS, Ann Marie; MUKHERJEE, Sudipta S; SKOFF, David R et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 17, pp 5009-5018, issn 1520-6106, 10 p.Article

An efficient NMR method for the characterisation of 14N sites through indirect 13C detectionJARVIS, James A; HAIES, Ibraheem M; WILLIAMSON, Philip T. F et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 20, pp 7613-7620, issn 1463-9076, 8 p.Article

Are Time-Dependent Fluorescence Shifts at the Tunnel Mouth of Haloalkane Dehalogenase Enzymes Dependent on the Choice of the Chromophore?AMARO, Mariana; BREZOVSKY, Jan; KOVACOVA, Silvia et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 26, pp 7898-7906, issn 1520-6106, 9 p.Article

Bacteria-Adsorbed Palygorskite Stabilizes the Quaternary Phosphonium Salt with Specific-Targeting Capability, Long-Term Antibacterial Activity, and Lower CytotoxicityXIANG CAI; JINGLIN ZHANG; YU OUYANG et al.Langmuir. 2013, Vol 29, Num 17, pp 5279-5285, issn 0743-7463, 7 p.Article

Car-Parrinello Molecular Dynamics/Molecular Mechanics (CPMD/ MM) Simulation Study of Coupling and Uncoupling Mechanisms of Cytochrome P450camPENG LIAN; JUE LI; WANG, Dong-Qi et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 26, pp 7849-7856, issn 1520-6106, 8 p.Article

Carbohydrate―Aromatic Interactions: Vibrational Spectroscopy and Structural Assignment of Isolated Monosaccharide Complexes with p-Hydroxy Toluene and N-Acetyl L-Tyrosine MethylamideSTANCA-KAPOSTA, E. Cristina; CARCABAL, Pierre; COCINERO, Emilio J et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 27, pp 8135-8142, issn 1520-6106, 8 p.Article

Cation-Specific Effects on Enzymatic Catalysis Driven by Interactions at the Tunnel MouthSTEPANKOVA, Veronika; PATEROVA, Jana; DAMBORSKY, Jiří et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 21, pp 6394-6402, issn 1520-6106, 9 p.Article

Chiral Recognition of Amino Acid Enantiomers by a Crown Ether: Chiroptical IR-VCD Response and Computational StudyAVILES-MORENO, Juan Ramon; QUESADA-MORENO, Maria Mar; LOPEZ-GONZALEZ, Juan Jesus et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 32, pp 9362-9370, issn 1520-6106, 9 p.Article

Chromium(VI) but Not Chromium(III) Species Decrease Mitoxantrone Affinity to DNANOWICKA, Anna M; STOJEK, Zbigniew; HEPEL, Maria et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 4, pp 1021-1030, issn 1520-6106, 10 p.Article

Computational Prediction of One-Electron Reduction Potentials and Acid Dissociation Constants for Guanine Oxidation Intermediates and ProductsPSCIUK, Brian T; BERNHARD SCHLEGEL, H.The Journal of physical chemistry. B. 2013, Vol 117, Num 32, pp 9518-9531, issn 1520-6106, 14 p.Article

Concerted Proton Transfer Mechanism of Clostridium thermocellum Ribose-5-phosphate IsomeraseJUN WANG; WEITAO YANG.The Journal of physical chemistry. B. 2013, Vol 117, Num 32, pp 9354-9361, issn 1520-6106, 8 p.Article

Factors That Drive Peptide Assembly and Fibril Formation: Experimental and Theoretical Analysis of Sup35 NNQQNY MutantsDO, Thanh D; ECONOMOU, Nicholas J; LAPOINTE, Nichole E et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 28, pp 8436-8446, issn 1520-6106, 11 p.Article

Ferredoxin:NADP+ oxidoreductase in junction with CdSe/ZnS quantum dots: characteristics of an enzymatically active nanohybrid : QUANTUM DOTS IN BIOLOGYSZCZEPANIAK, Krzysztof; WORCH, Remigiusz; GRZYB, Joanna et al.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 19, issn 0953-8984, 194102.1-194102.9Article

Fluorescence Micro-Spectroscopy Study of Individual Photosynthetic Membrane Vesicles and Light-Harvesting ComplexesLEIGER, Kristjan; REISBERG, Liis; FREIBERG, Arvi et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 32, pp 9315-9326, issn 1520-6106, 12 p.Article

From Formamide to Purine: A Self-Catalyzed Reaction Pathway Provides a Feasible Mechanism for the Entire ProcessJING WANG; JIANDE GU; THO NGUYEN, Minh et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 32, pp 9333-9342, issn 1520-6106, 10 p.Article

In Situ Spectroscopic Quantification of Protein-Ice InteractionsTWOMEY, Alan; LESS, Rebekah; KURATA, Kosaku et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 26, pp 7889-7897, issn 1520-6106, 9 p.Article

Induced Dipoles Incorporated into All-Atom Zn Protein Simulations with Multiscale ModelingHUANG, Yan-Dong; SHUAI, Jian-Wei.The Journal of physical chemistry. B. 2013, Vol 117, Num 20, pp 6138-6148, issn 1520-6106, 11 p.Article

Inorganic Phosphate and Nucleotides on Silica Surface: Condensation, Dismutation, and PhosphorylationGEORGELIN, Thomas; JABER, Maguy; ONFROY, Thomas et al.Journal of physical chemistry. C. 2013, Vol 117, Num 24, pp 12579-12590, issn 1932-7447, 12 p.Article

Isolation of a Highly Reactive β-Sheet-Rich Intermediate of Lysozyme in a Solvent-Free Liquid PhaseBROGAN, Alex P. S; SHARMA, Kamendra P; PERRIMAN, Adam W et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 28, pp 8400-8407, issn 1520-6106, 8 p.Article

Minor-Groove Binding Drugs: Where Is the Second Hoechst 33258 Molecule?FORNANDER, Louise H; LISHA WU; BILLETER, Martin et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 19, pp 5820-5830, issn 1520-6106, 11 p.Article

Molecular Energetics in the Capsomere of Virus-Like Particle Revealed by Molecular Dynamics SimulationsLIN ZHANG; RONGHONG TANG; SHU BAI et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 18, pp 5411-5421, issn 1520-6106, 11 p.Article

New Insights into the Folding of a β-Sheet Miniprotein in a Reduced Space of Collective Hydrogen Bond Variables: Application to a Hydrodynamic Analysis of the Folding FlowKALGIN, Igor V; CAFLISCH, Amedeo; CHEKMAREV, Sergei F et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 20, pp 6092-6105, issn 1520-6106, 14 p.Article

New Insights on the Molecular Recognition of Imidacloprid with Aplysia californica AChBP: A Computational StudyCERON-CARRASCO, Jose P; JACQUEMIN, Denis; GRATON, Jérôme et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 15, pp 3944-3953, issn 1520-6106, 10 p.Article

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