Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.122, No.22 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (41 articles)

5727 - 5737	Exploring GPCR-Lipid Interactions by Molecular Dynamics Simulations: Excitements, Challenges, and the Way Forward Sengupta D, Prasanna X, Mohole M, Chattopadhyay A
5738 - 5748	Two-Photon Absorption Properties of Gold Fluorescent Protein: A Combined Molecular Dynamics and Quantum Chemistry Study Simsek Y, Brown A
5749 - 5757	Dimerization and Conformational Exchanges of the Receiver Domain of Response Regulator PhoB from Escherichia coli Kou XH, Liu YX, Li CG, Liu ML, Jiang L
5758 - 5764	Total Internal Reflection Two-Dimensional Fluorescence Lifetime Correlation Spectroscopy Otosu T, Yamaguchi S
5765 - 5775	Stereoselective Metabolism of Omeprazole by Cytochrome P450 2C19 and 3A4: Mechanistic Insights from DFT Study Jana K, Bandyopadhyay T, Ganguly B
5776 - 5789	Peptide Sequence and Solvent as Levers to Control Disulfide Connectivity in Multiple Cysteine Containing Venom Toxins Sajeevan KA, Roy D
5790 - 5796	Asynchrony of Base-Pair Breaking and Nucleotide Releasing of Helicases in DNA Unwinding Ma JB, Jia Q, Xu CH, Li JH, Huang XY, Ma DF, Li M, Xi XG, Lu Y
5797 - 5808	Formation of Catalytically Active Binuclear Center of Glycerophosphodiesterase: A Molecular Dynamics Study Paul TJ, Schenk G, Prabhakar R
5809 - 5819	Transition-State Ensembles Navigate the Pathways of Enzyme Catalysis Mickert MJ, Gorris HH
5820 - 5834	Stealth Nanoparticles Grafted with Dense Polymer Brushes Display Adsorption of Serum Protein Investigated by Isothermal Titration Calorimetry Gal N, Schroffenegger M, Reimhult E
5835 - 5844	Peridinin Torsional Distortion and Bond-Length Alternation Introduce Intramolecular Charge-Transfer and Correlated Triplet Pair Intermediate Excited States Taffet EJ, Scholes GD
5845 - 5850	Simulations and Experiments Delineate Amyloid Fibrilization by Peptides Derived from Glaucoma-Associated Myocilin Wang YM, Gao Y, Hill SE, Huard DJE, Tomlin MO, Lieberman RL, Paravastu AK, Hall CK
5851 - 5859	Prediction of Binding Energy of Keap1 Interaction Motifs in the Nrf2 Antioxidant Pathway and Design of Potential High-Affinity Peptides Karttunen M, Choy WY, Cino EA
5860 - 5869	Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress Goupy P, Carail M, Giuliani A, Duflot D, Dangles O, Caris-Veyrat C
5870 - 5876	Observation of Ultrafast Vibrational Energy Transfer in Fibrinogen and Fibrin Fibers Dutta B, Vos BE, Rezus YLA, Koenderink GH, Bakker HJ
5877 - 5884	Vibrational Energy Transfer from Heme through Atomic Contacts in Proteins Yamashita S, Mizuno M, Tran DP, Dokainish H, Kitao A, Mizutani Y
5885 - 5896	Dopamine and Caffeine Encapsulation within Boron Nitride (14,0) Nanotubes: Classical Molecular Dynamics and First Principles Calculations Garcia-Toral D, Gonzalez-Melchor M, Rivas-Silva JF, Meneses-Juarez E, Cano-Ordaz J, Cocoletzi GH
5897 - 5907	Influence of Cholesterol on the Dynamics of Hydration in Phospholipid Bilayers Eloa MD, Rodriguez J
5908 - 5921	Cooperative Modes of Action of Antimicrobial Peptides Characterized with Atomistic Simulations: A Study on Cecropin B Hsiao YW, Hedstrom M, Losasso V, Metz S, Crain J, Winn M
5922 - 5932	Relationship between Proton Transport and Morphology of Perfluorosulfonic Acid Membranes: A Reactive Molecular Dynamics Approach Mabuchi T, Tokumasu T
5933 - 5939	Adsorption Free Energies of Imidazolinium-Type Surfactants in Infinite Dilution and in Micellar State on Gold Surface Kurapati Y, Sharma S
5940 - 5950	Computation of the Hydrodynamic Radius of Charged Nanoparticles from Nonequilibrium Molecular Dynamics Weiss LB, Dahirel V, Marry V, Jardat M
5951 - 5960	Effect of Water on the Activation Thermodynamics of Deep Eutectic Solvents Based on Carboxybetaine and Choline Rumyantsev M, Rumyantsev S, Kalagaev IY
5961 - 5971	How Proton Transfer Equilibria Influence Ionic Liquid Properties: Molecular Simulations of Alkylammonium Acetates Nasrabadi AT, Gelb LD
5972 - 5983	The Interplay of Methyl-Group Distribution and Hydration Pattern of Isomeric Amphiphilic Osmolytes Agieienko V, Holz C, Horinek D, Buchner R
5984 - 5990	Crowding Stabilizes DMSO-Water Hydrogen-Bonding Interactions Oh KI, Baiz CR
5991 - 5998	Electric-Field Effects on Ionic Hydration: A Molecular Dynamics Study He ZJ, Cui HS, Hao SH, Wang LP, Zhou J
5999 - 6006	Solvation Dynamics of HEHEHP Ligand at the Liquid-Liquid Interface Ta AT, Hegde GA, Etz BD, Baldwin AG, Yang Y, Shafer JC, Jensen MP, Maupin CM, Vyas S
6007 - 6016	Structural Dependence and Spectroscopic Evidence of Methane Dissolution in Ionic Liquids Huang TY, Yan PF, Xu ZW, Liu XM, Xin Q, Liu HT, Zhang ZC
6017 - 6032	Vapor Liquid Equilibria of Binary Mixtures of 1-Butyl-3-methylimidazolium Triflate (C(4)mimTfO) and Molecular Solvents: n-Alkyl Alcohols and Water Stuckenholz M, Crespo EA, Vega LF, Carvalho PJ, Coutinho JAP, Schroer W, Kiefer J, Rathke B
6033 - 6047	Femtosecond Raman-Induced Kerr Effect Study of Temperature-Dependent Intermolecular Dynamics in Molten Bis(trifluoromethylsulfonyl)amide Salts: Effects of Cation Species Kakinuma S, Shirota H
6048 - 6054	Anisotropy of the Proton Momentum Distribution in Water Kapil V, Cuzzocrea A, Ceriotti M
6055 - 6063	Autoassemblies of alpha-Cyclodextrin and Grafted Polysaccharides: Crystal Structure and Specific Properties of the Platelets Carn F, Nowak S, Chaab I, Diaz-Salmeron R, Djabourov M, Bouchemal K
6064 - 6071	Effects of Dielectric Inhomogeneity and Electrostatic Correlation on the Solvation Energy of Ions in Liquids Nakamura I
6072 - 6078	Self-Assembly of a Thermally Responsive Double-Hydrophilic Copolymer in Ethanol Water Mixtures: The Effect of Preferential Adsorption and Co-Nonsolvency Michailova VI, Momekova DB, Velichkova HA, Ivanov EH, Kotsilkova RK, Karashanova DB, Mileva ED, Dimitrov IV, Rangelov SM
6079 - 6093	Tetronic Star Block Copolymer Micelles: Photophysical Characterization of Microenvironments and Applicability for Tuning Electron Transfer Reactions Samanta P, Rane S, Bahadur P, Choudhury SD, Pal H
6094 - 6100	Monitoring Coil-Globule Transitions of Thermoresponsive Polymers by Using NMR Solvent Relaxation Chakraborty I, Mukherjee K, De P, Bhattacharyya R
6101 - 6106	Interfaces Charged by a Nonionic Surfactant Lee J, Zhou ZL, Behrens SH
6107 - 6119	Molecular Dynamics Simulations of Substrate Hydrophilicity and Confinement Effects in Capped Nafion Films Sengupta S, Lyulin AV
6120 - 6123	Reply to "Comment on 'Behavior of Supercritical Fluids across the Frenkel Line'" Bryk T, Gorelli FA, Mryglod I, Ruocco G, Santoro M, Scopigno T
6124 - 6128	Comment on "Behavior of Supercritical Fluids across the 'Frenkel Line'" Brazhkin VV, Prescher C, Fomin YD, Tsiok EN, Lyapin AG, Ryzhov VN, Prakapenka VB, Stefanski J, Trachenko K, Sapelkin A