11397 - 11413 |
Beyond the Continuum: How Molecular Solvent Structure Affects Electrostatics and Hydrodynamics at Solid-Electrolyte Interfaces Bonthuis DJ, Netz RR |
11414 - 11422 |
Two-Dimensional Fluorescence Lifetime Correlation Spectroscopy. 1. Principle Ishii K, Tahara T |
11423 - 11432 |
Two-Dimensional Fluorescence Lifetime Correlation Spectroscopy. 2. Application Ishii K, Tahara T |
11433 - 11447 |
On the Behavior of Water at Subfreezing Temperatures in a Protein Crystal: Evidence of Higher Mobility Than in Bulk Water Wang DQ, Bockmann A, Dolenc J, Meier BH, van Gunsteren WF |
11448 - 11459 |
Insight into alpha-Synuclein Plasticity and Misfolding from Differential Micelle Binding Mazumder P, Suk JE, Ulmer TS |
11460 - 11465 |
Free Energy Surface for Bronsted Acid-Catalyzed Glucose Ring-Opening in Aqueous Solution Qian XH |
11466 - 11472 |
Influence of Chirality on Vibrational and Relaxational Properties of (S)- and (R,S)-Ibuprofen/methyl-beta-cyclodextrin Inclusion Complexes: An INS and QENS Study Crupi V, Guella G, Longeville S, Majolino D, Mancini I, Paciaroni A, Rossi B, Venuti V |
11473 - 11489 |
Optimizing Electrostatic Field Calculations with the Adaptive Poisson-Boltzmann Solver to Predict Electric Fields at Protein-Protein Interfaces. I. Sampling and Focusing Ritchie AW, Webb LJ |
11490 - 11501 |
Folding Dynamics of the Trp-Cage Miniprotein: Evidence for a Native-Like Intermediate from Combined Time-Resolved Vibrational Spectroscopy and Molecular Dynamics Simulations Meuzelaar H, Marino KA, Huerta-Viga A, Panman MR, Smeenk LEJ, Kettelarij AJ, van Maarseveen JH, Timmerman P, Bolhuis PG, Woutersen S |
11502 - 11508 |
Influence of Osmolytes on Protein and Water Structure: A Step To Understanding the Mechanism of Protein Stabilization Bruzdziak P, Panuszko A, Stangret J |
11509 - 11517 |
Conformation-Directed Catalysis and Coupled Enzyme-Substrate Dynamics in Pin1 Phosphorylation-Dependent Cis-Trans Isomerase Velazquez HA, Hamelberg D |
11518 - 11529 |
Familial Alzheimer's Disease Osaka Mutant (Delta E22) beta-Barrels Suggest an Explanation for the Different A beta(1-40/42) Preferred Conformational States Observed by Experiment Jang H, Arce FT, Ramachandran S, Kagan BL, Lal R, Nussinov R |
11530 - 11540 |
Aggregation of Oligoarginines at Phospholipid Membranes: Molecular Dynamics Simulations, Time-Dependent Fluorescence Shift, and Biomimetic Colorimetric Assays Vazdar M, Wernersson E, Khabiri M, Cwiklik L, Jurkiewicz P, Hof M, Mann E, Kolusheva S, Jelinek R, Jungwirth P |
11541 - 11547 |
pH-Induced Conformational Change and Dimerization of DNA Chains Investigated by Analytical Ultracentrifugation Wu S, Wang XY, Ye XD, Zhang GZ |
11548 - 11555 |
Dynamics in Protein Powders on the Nanosecond-Picosecond Time Scale Are Dominated by Localized Motions Nickels JD, Sakai VG, Sokolov AP |
11556 - 11564 |
Behavior of Human Cytochromes P450 on Lipid Membranes Berka K, Paloncyova M, Anzenbacher P, Otyepka M |
11565 - 11574 |
Modulation of Environmental Dynamics at the Active Site and Activity of an Enzyme under Nanoscopic Confinement: Subtilisin Carlsberg in Anionic AOT Reverse Micelle Rakshit S, Saha R, Pal SK |
11575 - 11583 |
First Steps in Growth of a Polypeptide toward beta-Sheet Structure Adhikari U, Scheiner S |
11584 - 11595 |
Effects of Hypoxanthine Substitution in Peptide Nucleic Acids Targeting KRAS2 Oncogenic mRNA Molecules: Theory and Experiment Sanders JM, Wampole ME, Chen CP, Sethi D, Singh A, Dupradeau FY, Wang F, Gray BD, Thakur ML, Wickstrom E |
11596 - 11607 |
New Delhi Metallo-beta-Lactamase I: Substrate Binding and Catalytic Mechanism Zheng M, Xu DG |
11608 - 11616 |
Non-Covalent Interactions: Complexes of Guanidinium with DNA and RNA Nucleobases Blanco F, Kelly B, Sanchez-Sanz G, Trujillo C, Alkorta I, Elguero J, Rozas I |
11617 - 11622 |
Effect of 8-Oxoguanine on DNA Structure and Deformability Drsata T, Kara M, Zacharias M, Lankas F |
11623 - 11632 |
pi- vs sigma-Radical States of One-Electron-Oxidized DNA/RNA Bases: A Density Functional Theory Study Kumar A, Sevilla MD |
11633 - 11640 |
Molecular Dynamics Simulations of Ion Conductance in Field-Stabilized Nanoscale Lipid Electropores Ho MC, Casciola M, Levine ZA, Vernier PT |
11641 - 11653 |
Free Energetics of Arginine Permeation into Model DMPC Lipid Bilayers: Coupling of Effective Counterion Concentration and Lateral Bilayer Dimensions Hu Y, Ou SC, Patel S |
11654 - 11659 |
Paramagnetic Relaxation Enhancement Experiments: A Valuable Tool for the Characterization of Micellar Nanodevices Keymeulen F, De Bernardin P, Dalla Cort A, Bartik K |
11660 - 11669 |
Excited State Structures and Decay Dynamics of 1,3-Dimethyluracils in Solutions: Resonance Raman and Quantum Mechanical Calculation Study Li MJ, Liu MX, Zhao YY, Pei KM, Wang HG, Zheng XM, Fang WH |
11670 - 11680 |
Chemical Speciation of Metal Complexes from Chemical Shift Calculations: The Interaction of 2-Amino-N-hydroxypropanamide with V(V) in Aqueous Solution Duarte HA, Vankova N, Ferreira IP, Paniago EB, Heine T |
11681 - 11686 |
Vibrating-Charge-Driven Water Pump Controlled by the Deformation of the Carbon Nanotube Zhou XY, Wu FM, Kou JL, Nie XC, Liu Y, Lu HJ |
11687 - 11696 |
Condensed-Phase Effects on the Structural Properties of FCH2CN-BF3 and ClCH2CN-BF3: A Matrix-Isolation and Computational Study Buchberger AR, Danforth SJ, Bloomgren KM, Rohde JA, Smith EL, Gardener CCA, Phillips JA |
11697 - 11708 |
Solute Diffusion in Ionic Liquids, NMR Measurements and Comparisons to Conventional Solvents Kaintz A, Baker G, Benesi A, Maroncelli M |
11709 - 11718 |
Solution Structure of Energy Stored System I: Aqua-B(OH)(4)(-): A DFT, Car-Parrinello Molecular Dynamics, and Raman Study Zhou YQ, Fang Y, Fang CH, Zhu FY, Ge HW, Chen QL |
11719 - 11731 |
Liquid-Vapor Interfacial Properties of Aqueous Solutions of Guanidinium and Methyl Guanidinium Chloride: Influence of Molecular Orientation on Interface Fluctuations Ou SC, Cui D, Patel S |
11732 - 11742 |
Spherical Monovalent Ions at Aqueous Liquid-Vapor Interfaces: Interfacial Stability and Induced Interface Fluctuations Ou SC, Hu Y, Patel S, Wan HB |
11743 - 11752 |
Dielectric Relaxation and Solvation Dynamics in a Room-Temperature Ionic Liquid: Temperature Dependence Shim Y, Kim HJ |
11753 - 11764 |
The Free OD at the Air/D2O Interface Is Structurally and Dynamically Heterogeneous Tong YJ, Verde AV, Campen RK |
11765 - 11771 |
Microwave Dielectric Relaxation Spectroscopy Study of Alkan-1-ol/Alkylbenzoate Binary Solvents Navarro AM, Garcia B, Ibeas S, Hoyuelos FJ, Penacoba IA, Leal JM |
11772 - 11779 |
Translocation of a Charged Nanoparticle Through a Fluidic Nanochannel: The Interplay of Nanoparticle and Ions Su JY, Guo HX |
11780 - 11792 |
Cosolvent or Antisolvent? A Molecular View of the Interface between Ionic Liquids and Cellulose upon Addition of Another Molecular Solvent Huo F, Liu ZP, Wang WC |
11793 - 11800 |
NMR Investigations of the Interaction Between the Azo-Dye Sunset Yellow and Fluorophenol Katz JR, Day LJ, Day IJ |
11801 - 11811 |
Dynamical Study of Impurity Effects on Bipolaron-Bipolaron and Bipolaron-Polaron Scattering in Conjugated Polymers Ribeiro LA, da Cunha WF, Neto PHD, Gargano R, Silva GME |
11812 - 11829 |
Modified Colloidal Primitive Model as a Homogeneous Surface Charge Distribution: zeta-Potential Manzanilla-Granados HM, Lozado-Cassou M |
11830 - 11835 |
Effect of Additives on the Cloud Point Temperature of 2-Hydroxy-3-isopropoxypropyl Starch Solutions Ju BZ, Cao SQ, Zhang SF |
11836 - 11842 |
Phase and Glass Transitions Observed by Adiabatic Calorimetry of Host p-tert-Butylcalix[4]arene and Guest Toluene Inclusion Crystal, Suggesting the Progress of the Combined Order-Disorder Process of the Host-Guest Molecules Ueda K, Oguni M |
11843 - 11852 |
Effect of Side-Chain on Conformation of Poly(acrylic acid) and Its Dielectric Behaviors in Aqueous Solution: Hydrophobic and Hydrogen-Bonding Interactions and Mechanism of Relaxations Li JL, Zhao KS |
11853 - 11862 |
Predicting Aggregation Rates of Colloidal Particles from Direct Force Measurements Ruiz-Cabello FJM, Trefalt G, Csendes Z, Sinha P, Oncsik T, Szilagyi I, Maroni P, Borkovec M |
11863 - 11876 |
Variable-Temperature Time-Resolved Emission Spectra Studies of Random Pyrene Urethane Methacrylate Copolymers with High Pyrene Incorporation Kaushlendra K, Asha SK |
11877 - 11884 |
H-1 NMR Relaxometry, Viscometry, and PFG NMR Studies of Magnetic and Nonmagnetic Ionic Liquids Daniel CI, Chavez FV, Feio G, Portugal CAM, Crespo JG, Sebastiao PJ |
11885 - 11892 |
Depth Resolution, Angle Dependence, and the Sputtering Yield of Irganox 1010 by Coronene Primary Ions Seah MP, Spencer SJ, Shard AG |
11893 - 11893 |
Control of Crystal Morphology in Monodisperse Polyfluorenes by Solvent and Molecular Weight (vol 117, pg 8880, 2013) Liu CF, Wang QL, Tian HK, Liu J, Geng YH, Yan DH |