2769 - 2785 |
Proteins at Interfaces Probed by Chiral Vibrational Sum Frequency Generation Spectroscopy Yan ECY, Wang ZG, Fu L |
2786 - 2794 |
Atomic-Level Study of the Effects of O-4 Molecules on the Structural Properties of Protofibrillar A beta Trimer: beta-Sheet Stabilization, Salt Bridge Protection, and Binding Mechanism Sun YX, Xi WH, Wei GH |
2795 - 2805 |
Gas-Phase Conformations and Energetics of Protonated 2'-Deoxyadenosine and Adenosine: IRMPD Action Spectroscopy and Theoretical Studies Wu RR, Yang B, Berden G, Oomens J, Rodgers MT |
2806 - 2817 |
Activation of Corticotropin-Releasing Factor 1 Receptor: Insights from Molecular Dynamics Simulations Singh R, Ahalawat N, Murarka RK |
2818 - 2826 |
Kinetic Ion Thermometers for Electron Transfer Dissociation Pepin R, Turecek F |
2827 - 2838 |
Measurement of Internal Substrate Binding in Dehaloperoxidase-Hemoglobin by Competition with the Heme-Fluoride Binding Equilibrium Zhao J, Moretto J, Le P, Franzen S |
2839 - 2843 |
Cysteine-Specific Cu2+ Chelating Tags Used as Paramagnetic Probes in Double Electron Electron Resonance Cunningham TF, Shannon MD, Putterman MR, Arachchige RJ, Sengupta I, Gao M, Jaroniec CP, Saxena S |
2844 - 2856 |
Recognition Mechanism between Lac Repressor and DNA with Correlation Network Analysis Xu LS, Ye W, Jiang C, Yang JX, Zhang JM, Feng Y, Luo R, Chen HF |
2857 - 2868 |
Protein Dynamics in the Solid State from H-2 NMR Line Shape Analysis: A Consistent Perspective Meirovitch E, Liang ZC, Freed JH |
2869 - 2876 |
Measurement of the Membrane Dipole Electric Field in DMPC Vesicles Using Vibrational Shifts of p-Cyanophenylalanine and Molecular Dynamics Simulations Shrestha R, Cardenas AE, Elber R, Webb LJ |
2877 - 2885 |
Interactions of Amino Acid Side-Chain Analogs within Membrane Environments Mirjalili V, Feig M |
2886 - 2896 |
Probing the Sources of the Apparent Irreproducibility of Amyloid Formation: Drastic Changes in Kinetics and a Switch in Mechanism Due to Micelle like Oligomer Formation at Critical Concentrations of IAPP Brender JR, Krishnamoorthy J, Sciacca MFM, Vivekanandan S, D'Urso L, Chen J, La Rosa C, Ramamoorthy A |
2897 - 2907 |
Pressure-Sensitive Reaction Yield of the TePixD Blue-Light Sensor Protein Kuroi K, Okajima K, Ikeuchi M, Tokutomi S, Kamiyama T, Terazima M |
2908 - 2920 |
Recovery of Bulk Proton Magnetization and Sensitivity Enhancement in Ultrafast Magic-Angle Spinning Solid-State NMR Demers JP, Vijayan V, Lange A |
2921 - 2927 |
Surface Plasmon Coupled Emission in Micrometer-Scale Cells: A Leap from Interface to Bulk Targets Liu Q, Cao SH, Cai WP, Liu XQ, Weng YH, Xie KX, Huo SX, Li YQ |
2928 - 2932 |
Formation of a CH-pi Contact in the Core of Native Barstar during Folding Milan-Garces EA, Thaore P, Udgaonkar JB, Puranik M |
2933 - 2945 |
Coupled-Cluster Studies of Extensive Green Fluorescent Protein Models Using the Reduced Virtual Space Approach Send R, Suomivuori CM, Kaila VRI, Sundholm D |
2946 - 2955 |
Phosphorylation as Conformational Switch from the Native to Amyloid State: Trp-Cage as a Protein Aggregation Model Kardos J, Kiss B, Micsonai A, Rovo P, Menyhard DK, Kovacs J, Varadi G, Toth GK, Perczel A |
2956 - 2967 |
Protein-Protein Interactions Affect Alpha Helix Stability in Crowded Environments Macdonald B, McCarley S, Noeen S, van Giessen AE |
2968 - 2978 |
Electrical Coupling in Ensembles of Nonexcitable Cells: Modeling the Spatial Map of Single Cell Potentials Cervera J, Manzanares JA, Mafe S |
2979 - 2989 |
Untemplated Nonenzymatic Polymerization of 3',5' cGMP: A Plausible Route to 3',5'-Linked Oligonucleotides in Primordia Sponer JE, Sponer J, Giorgi A, Di Mauro E, Pino S, Costanzo G |
2990 - 3000 |
Molecular Organization of Nalidixate Conjugated Calixarenes in Bacterial Model Membranes Probed by Molecular Dynamics Simulation and Langmuir Mono layer Studies Korchowiec B, Korchowiec J, Gorczyca M, de Vains JBR, Rogalska E |
3001 - 3013 |
Molecular Structure and Pronounced Conformational Flexibility of Doxorubicin in Free and Conjugated State within a Drug-Peptide Compound Tsoneva Y, Jonker HRA, Wagner M, Tadjer A, Lelle M, Peneva K, Ivanova A |
3014 - 3024 |
Tetracycline-Loaded Biomimetic Apatite: An Adsorption Study Cazalbou S, Bertrand G, Drouet C |
3025 - 3033 |
A Comparison of Energy Flow in Micelle and Vesicle Structures Pratama F, Blanchard GJ |
3034 - 3045 |
Multipolar Force Fields and Their Effects on Solvent Dynamics around Simple Solutes Jakobsen S, Bereau T, Meuwly M |
3046 - 3057 |
Photophysical and Quantum Chemical Studies on the Interactions of Oxazine-1 Dye with Cucurbituril Macrocycles Sayed M, Sundararajan M, Mohanty J, Bhasikuttan AC, Pal H |
3058 - 3062 |
Local Energy Gap Opening Induced by Hemin Dimerization in Aqueous Solution Golnak R, Xiao J, Atak K, Khan M, Suljoti E, Aziz EF |
3063 - 3069 |
Insights into the Origin of the Separation Selectivity with Silica Hydride Adsorbents Kulsing C, Nolvachai Y, Marriott PJ, Boysen RI, Matyska MT, Pesek JJ, Hearn MTW |
3070 - 3084 |
Investigation of the Structure of Ethanol-Water Mixtures by Molecular Dynamics Simulation I: Analyses Concerning the Hydrogen-Bonded Pairs Gereben O, Pusztai L |
3085 - 3096 |
Effect of Organic Solvents on Li+ Ion Solvation and Transport in Ionic Liquid Electrolytes: A Molecular Dynamics Simulation Study Li Z, Borodin O, Smith GD, Bedrov D |
3097 - 3103 |
Ion Diffusion Coefficients Model and Molar Conductivities of Ionic Salts in Aprotic Solvents Garrido L, Mejia A, Garcia N, Tiemblo P, Guzman J |
3104 - 3111 |
Role of in Situ Resultant H2O2 in the Visible-Light-Driven Photocatalytic Inactivation of E-coli Using Natural Sphalerite: A Genetic Study Shi HX, Huang GC, Xia DH, Ng TW, Yip HY, Li GY, An TC, Zhao HJ, Wong PK |
3112 - 3122 |
Vibrational Relaxation and Energy Migration of N-Methylacetamide in Water: The Role of Non bonded Interactions Cazade PA, Hedin F, Xu ZH, Meuwly M |
3123 - 3134 |
DNA Bases Assembled on the Au(110)/Electrolyte Interface: A Combined Experimental and Theoretical Study Salvatore P, Nazmutdinov RR, Ulstrup J, Zhang JD |
3135 - 3141 |
Dynamics of Solvent Response in Methanol-Chloroform Binary Solvent Mixture: A Case of Synergistic Solvation Gupta S, Rafiq S, Sen P |
3142 - 3154 |
Exploring Molecular Insights into Aggregation of Hydrotrope Sodium Cumene Sulfonate in Aqueous Solution: A Molecular Dynamics Simulation Study Das S, Paul S |
3155 - 3173 |
General Strategy for Computing Nonlinear Optical Properties of Large Neutral and Cationic Organic Chromophores in Solution Benassi E, Egidi F, Barone V |
3174 - 3184 |
A Database of Dispersion-Induction DI, Electrostatic ES, and Hydrogen Bonding alpha 1 and beta 1 Solvent Parameters and Some Applications to the Multiparameter Correlation Analysis of Solvent Effects Laurence C, Legros J, Chantzis A, Planchat A, Jacquemin D |
3185 - 3193 |
Study of Nanostructural Organization of Ionic Liquids by Electron Paramagnetic Resonance Spectroscopy Merunka D, Peric M, Peric M |
3194 - 3204 |
Evaluation of CO2-Philicity of Poly(vinyl acetate) and Poly(vinyl acetate-alt-maleate) Copolymers through Molecular Modeling and Dissolution Behavior Measurement Hu DD, Sun SJ, Yuan PQ, Zhao L, Liu T |
3205 - 3212 |
Relation of System Dimensionality and Order Parameters Robinson BH, Johnson LE, Eichinger BE |
3213 - 3222 |
Quantum Chemistry Study of Proton Transport in Imidazole Chains Kumar M, Venkatnathan A |
3223 - 3230 |
Spectral and Thermal Characterization of Halogen-Bonded Novel Crystalline Oligo(p-bromoacetophenone formaldehyde) Chauhan NPS, Mozafari M, Ameta R, Punjabi PB, Ameta SC |
3231 - 3241 |
Polyelectrolyte Complexes of a Cationic All Conjugated Fluorene-Thiophene Diblock Copolymer with Aqueous DNA Knaapila M, Costa T, Garamus VM, Kraft M, Drechsler M, Scherf U, Burrows HD |
3242 - 3249 |
Molecular Orientational Order Probed by Coherent Anti-Stokes Raman Scattering (CARS) and Stimulated Raman Scattering (SRS) Microscopy: A Spectral Comparative Study Duboisset J, Berto P, Gasecka P, Bioud FZ, Ferrand P, Rigneault H, Brasselet S |
3250 - 3258 |
Competitive Protein Adsorption to Soft Polymeric Layers: Binary Mixtures and Comparison to Theory Oberle M, Yigit C, Angioletti-Uberti S, Dzubiella J, Ballauff M |
3259 - 3272 |
Structure and Properties of Orthoborate Glasses in the Eu2O3-(Sr,Eu)O-B2O3 Quaternary Winterstein-Beckmann A, Moncke D, Palles D, Kamitsos EI, Wondraczek L |
3273 - 3280 |
Relationship between Molecular Association and Re-entrant Phenomena in Polar Calamitic Liquid Crystals Mandle RJ, Cowling SJ, Sage I, Colclough ME, Goodby JW |
3281 - 3296 |
Quantum Chemical Approach in the Description of the Amphiphile Clusterization at the Air/Liquid and Liquid/Liquid Interfaces with Phase Nature Accounting. I. Aliphatic Normal Alcohols at the Air/Water Interface Vysotsky YB, Belyaeva EA, Kartashynska ES, Fainerman VB, Smirnova NA |
3297 - 3303 |
Angle Dependence of Argon Gas Cluster Sputtering Yields for Organic Materials Seah MP, Spencer SJ, Shard AG |
3304 - 3311 |
Fast Surface Crystallization of Molecular Glasses: Creation of Depletion Zones by Surface Diffusion and Crystallization Flux Hasebe M, Musumeci D, Yu L |
3312 - 3319 |
NMR Characterization of PAMAM_G5(center dot)NH(2) Entrapped Atomic and Molecular Assemblies Keri M, Peng C, Shi XY, Banyai I |
3320 - 3331 |
Colloidal Aggregate and Gel Incubated by Amorphous Conjugated Polymer in Hybrid-Solvent Medium Guo RH, Hsu CH, Hua CC, Chen SA |
3332 - 3332 |
Coarse-Graining Poly(ethylene-oxide)-Poly(propylene-oxide)-Poly(ethylene-oxide) (PEO-PPO-PEO) Block Copolymers Using the MARTINI Force Field (vol 118, pg 1648, 2014) Nawaz S, Carbone P |
3333 - 3333 |
Local Isotropic Diffusion Approximation for Coupled Internal and Overall Molecular Motions in NMR Spin Relaxation (vol 118, pg 11120, 2014) Gill ML, Palmer AG |