| 475 - 483 |
Sensing Organic Molecules by Charge Transfer through Aptamer-Target Complexes: Theory and Simulation
Schill M, Koslowski T |
| 484 - 489 |
Mechanism of the Glycosylation Step Catalyzed by Human alpha-Galactosidase: A QM/MM Metadynamics Study
Pan XL, Liu W, Liu JY |
| 490 - 494 |
Cold-Induced Precipitation of a Monoclonal IgM: A Negative Activation Enthalpy Reaction
Meliga SC, Farrugia W, Ramsland PA, Falconer RJ |
| 495 - 502 |
Extracting Conformational Memory from Single-Molecule Kinetic Data
Presse S, Lee J, Dill KA |
| 503 - 509 |
Universality of Poisson Indicator and Fano Factor of Transport Event Statistics in Ion Channels and Enzyme Kinetics
Chaudhury S, Cao JS, Sinitsyn NA |
| 510 - 517 |
Influence of Glass Scaffolds Macroporosity on the Bioactive Process
Lacroix J, Jallot E, Nedelec JM, Lao J |
| 518 - 526 |
Peptide Backbone Sampling Convergence with the Adaptive Biasing Force Algorithm
Faller CE, Reilly KA, Hills RD, Guvench O |
| 527 - 534 |
Catalysis of Dioxygen Reduction by Thermus thermophilus Strain HB27 Laccase on Ketjen Black Electrodes
Agbo P, Heath JR, Gray HB |
| 535 - 552 |
Investigating Allostery in Molecular Recognition: Insights from a Computational Study of Multiple Antibody-Antigen Complexes
Corrada D, Morra G, Colombo G |
| 553 - 562 |
First Principle Approach to Solvation by Methylimidazolium-Based Ionic Liquids
Rezabal E, Schafer T |
| 563 - 582 |
Phase Behavior and Molecular Dynamics Simulation Studies of New Aqueous Two-Phase Separation Systems Induced by HEPES Buffer
Taha M, Khoiroh I, Lee MJ |
| 583 - 588 |
Collective Proton Dynamics at Highly Charged Interfaces Studied by Ab Initio Metadynamics
Vartak S, Roudgar A, Golovnev A, Eikerling M |
| 589 - 601 |
On the Effects of Temperature, Pressure, and Dissolved Salts on the Hydrogen-Bond Network of Water
Galamba N |
| 602 - 614 |
Creation and Persistence of Chiral Asymmetry in a Microscopically Reversible Molecular Model
Ricci F, Stillinger FH, Debenedetti PG |
| 615 - 622 |
A Conductance Study of Guanidinium Chloride, Thiocyanate, Sulfate, and Carbonate in Dilute Aqueous Solutions: Ion-Association and Carbonate Hydrolysis Effects
Hunger J, Neueder R, Buchner R, Apelblat A |
| 623 - 635 |
Dynamics of Isolated Water Molecules in a Sea of Ions in a Room Temperature Ionic Liquid
Wong DB, Giammanco CH, Fenn EE, Fayer MD |
| 636 - 647 |
Diffusion-Viscosity Decoupling in Solute Rotation and Solvent Relaxation of Coumarin153 in Ionic Liquids Containing Fluoroalkylphosphate (FAP) Anion: A Thermophysical and Photophysical Study
Das SK, Sahu PK, Sarkar M |
| 648 - 653 |
Photochromism of a Merocyanine Dye Bound to Sulfonatocalixarenes: Effect of pH and the Size of Macrocycle on the Kinetics
Miskolczy Z, Biczok L |
| 654 - 667 |
Intermolecular Structure and Collective Dynamics of Supercritical Fluoroform Studied by Molecular Dynamics Simulations
Ingrosso F, Ladanyi BM |
| 668 - 676 |
Pyrazolium- versus Imidazolium-Based Ionic Liquids: Structure, Dynamics and Physicochemical Properties
Chiappe C, Sanzone A, Mendola D, Castiglione F, Famulari A, Raos G, Mele A |
| 677 - 689 |
Crucial Importance of Water Structure Modification on Trimethylamine N-Oxide Counteracting Effect at High Pressure
Sarma R, Paul S |
| 690 - 696 |
Band Gap Engineering via Controlling Donor-Acceptor Compositions in Conjugated Copolymers
Hung YC, Chao CY, Dai CA, Su WF, Lin ST |
| 697 - 705 |
Influence of Annealing on Chain Entanglement and Molecular Dynamics in Weak Dynamic Asymmetry Polymer Blends
Lin Y, Tan YQ, Qiu BW, Shangguan YG, Harkin-Jones E, Zheng Q |
| 706 - 718 |
Ab Initio Calculation of the IR Spectrum of PTFE: Helical Symmetry and Defects
Quarti C, Milani A, Castiglioni C |
| 719 - 724 |
Competing Specific Interactions Investigated by Molecular Dynamics: Analysis of Poly(p-dioxanone)/Poly(vinylphenol) Blends
de Arenaza IM, Hernandez-Montero N, Meaurio E, Sarasua JR |
| 725 - 730 |
Electronic Charge Density Analysis of Li-Doped Polyacetylene: Molecular vs Periodic Descriptions and Nature of Li-to-Chain Bonding
Ho M, Navarrete-Lopez AM, Zicovich-Wilson CM, Ramirez-Solis A |
| 731 - 731 |
Behavior of Hydrophobic Polyelectrolyte Solution in Mixed Aqueous/Organic Solvents Revealed by Neutron Scattering and Viscosimetry (vol 116, pg 13525, 2012)
Essafi W, Abdelli A, Bouajila G, Boue F |
| 732 - 732 |
Effect of Linear Elongation on Carbon Nanotube and Polyelectrolyte Structures in PDMS-Supported Nanocomposite LbL Films (vol 116, pg 12257, 2012)
Frueh J, Nakashima N, He Q, Mohwald H |
