| 11219 - 11228 |
Solvation of the Guanidinium Ion in Pure Aqueous Environments: A Theoretical Study from an "Ab Initio"-Based Polarizable Force Field
Houriez C, Meot-Ner M, Masella M |
| 11229 - 11240 |
Homology Modeling and Molecular Dynamics Simulation Combined with X-ray Solution Scattering Defining Protein Structures of Thromboxane and Prostacyclin Synthases
Yang HC, Yang CH, Huang MY, Lu JF, Wang JS, Yeh YQ, Jeng US |
| 11241 - 11248 |
Understanding the Inhibiting Effect of Small-Molecule Hydrogen Bond Donors on the Solubility of Cellulose in Tetrabutylammonium Acetate/DMSO
Bengtsson J, Olsson C, Hedlund A, Kohnke T, Bialik E |
| 11249 - 11261 |
Structural and Dynamical Impact of a Universal Fluorescent Nucleoside Analogue Inserted Into a DNA Duplex
Zargarian L, Ben Imeddourene A, Gavvala K, Barthes NPF, Michel BY, Kenfack CA, Morellet N, Rene B, Fosse P, Burger A, Mely Y, Mauffret O |
| 11262 - 11272 |
Determination of Equilibrium Constant and Relative Brightness in FRET-FCS by Including the Third-Order Correlations
Meng LY, He SS, Zhao XS |
| 11273 - 11283 |
Comparison between Experimental and Broken Symmetry Density Functional Theory (BS-DFT) Calculated Electron Paramagnetic Resonance (EPR) Parameters of the S-2 State of the Oxygen-Evolving Complex of Photosystem II in Its Native (Calcium) and Strontium-Substituted Form
Beal NJ, Corry TK, O'Malley PJ |
| 11284 - 11291 |
Validating a Coarse-Grained Voltage Activation Model by Comparing Its Performance to the Results of Monte Carlo Simulations
Lee M, Kolev V, Warshel A |
| 11292 - 11303 |
Computation of Hemagglutinin Free Energy Difference by the Confinement Method
Boonstra S, Onck PR, van der Giessen E |
| 11304 - 11310 |
Copper(I) Chelators for Alzheimer's Disease
Opare SKA, Rauk A |
| 11311 - 11324 |
Membrane Permeability of Fatty Acyl Compounds Studied via Molecular Simulation
Vermaas JV, Beckham GT, Crowley MF |
| 11325 - 11332 |
Characterization of the Distribution of Pyrene Molecules in Confined Geometries with the Model Free Analysis
Cao XZ, Casier R, Little H, Duhamel J |
| 11333 - 11343 |
Spectroscopic Study of the Interaction of Carboxyl-Modified Gold Nanoparticles with Liposomes of Different Chain Lengths and Controlled Drug Release by Layer-by-Layer Technology
Kanwa N, De SK, Adhikari C, Chakraborty A |
| 11344 - 11355 |
Understanding Translational-Rotational Coupling in Liquid Water through Changes in Mass Distribution
Manogaran D, Subramanian Y |
| 11356 - 11366 |
Temperature-Dependent Empirical Parameters for Polarity in Choline Chloride Based Deep Eutectic Solvents
Valvi A, Dutta J, Tiwari S |
| 11367 - 11375 |
Introducing the Bipolar Solvent Media Using the Aqueous Mixtures of Amino Acid Anion-Based Ionic Liquids
Beniwal V, Kumar A |
| 11376 - 11382 |
Empirical Analysis of Optical Kerr Effect Spectra: A Case for Constraint
Bender JS, Fourkas JT, Coasne B |
| 11383 - 11389 |
Cation Hydration in Supercritical NaOH and HCl Aqueous Solutions
Sahle CJ, Niskanen J, Schmidt C, Stefanski J, Gilmore K, Forov Y, Jahn S, Wilke M, Sternemann C |
| 11390 - 11398 |
Comparison of Complexation-lnduced pK(a) Shifts in the Ground and Excited States of Dyes as Well as Different Macrocyclic Hosts and Their Manifestation in Host-Retarded Excited-Dye Deprotonation
Lazar AI, Rohacova J, Nau WM |
| 11399 - 11409 |
Small-Angle X-ray Crystallography on Single-Crystal Regions of Inverse Bicontinuous Cubic Phases: Lipid Bilayer Structures and Gaussian Curvature-Dependent Fluctuations
Oka T |
| 11410 - 11423 |
Density Functional Computations and Molecular Dynamics Simulations of the Triethylammonium Triflate Protic Ionic Liquid
Cardozo JFM, Burankova T, Embs JP, Benedetto A, Ballone P |
