10375 - 10389 |
Hofmeister Effects in Monoclonal Antibody Solution Interactions Arzensek D, Kuzman D, Podgornik R |
10390 - 10398 |
Melittin Aggregation in Aqueous Solutions: Insight from Molecular Dynamics Simulations Liao CY, Selvan ME, Zhao J, Slimovitch JL, Schneebeli ST, Shelley M, Shelley JC, Li JN |
10399 - 10405 |
How Does the Local Electrostatic Field Influence Emitted Wavelengths and Bioluminescent Intensities of Modified Heteroaromatic Luciferins? Zhou JG, Williams QL, Walters W, Deng ZY |
10406 - 10416 |
Effects of Natural Osmolytes on the Protein Structure in Supercritical CO2: Molecular Level Evidence Monhemi H, Housaindokht MR, Pour AN |
10417 - 10425 |
Trp-Cage Folding on Organic Surfaces Levine ZA, Fischer SA, Shea JE, Pfaendtner J |
10426 - 10433 |
Comparison of Human and Bovine Insulin Amyloidogenesis under Uniform Shear McBride SA, Tilger CF, Sanford SP, Tessier PM, Hirsa AH |
10434 - 10447 |
Residual Conformational Entropies on the Sugar-Phosphate Backbone of Nucleic Acids: An Analysis of the Nucleosome Core DNA and the Ribosome Mak CH, Sani LL, Villa AN |
10448 - 10455 |
Proximal Capture Dynamics for a Single Biological Nanopore Sensor Pederson ED, Barbalas J, Drown BS, Culbertson MJ, Burden LMK, Kasianowicz JJ, Burden DL |
10456 - 10465 |
Quantum Chemical Studies on Detail Mechanism of Nitrosylation of NAMI-A-HSA Adduct Das D, Mondal P |
10466 - 10477 |
Influence of Secondary Interactions on the Structure, Sublimation Thermodynamics, and Solubility of Salicylate:4-Hydroxybenzamide Cocrystals. Combined Experimental and Theoretical Study Manin AN, Voronin AP, Shishicina AV, Vener MV, Churakov AV, Perlovich GL |
10478 - 10487 |
Structures of the Alzheimer's Wild-Type A beta 1-40 Dimer from Atomistic Simulations Tarus B, Tran TT, Nasica-Labouze J, Stepone F, Nguyen PH, Derreumaux P |
10488 - 10495 |
Hydrogen Bond Formation between the Carotenoid Canthaxanthin and the Silanol Group on MCM-41 Surface Gao YL, Xu DY, Kispert LD |
10496 - 10510 |
Identification of Serine Conformers by Matrix-Isolation IR Spectroscopy Aided by Near-Infrared Laser-Induced Conformational Change, 2D Correlation Analysis, and Quantum Mechanical Anharmonic Computations Najbauer EE, Bazso G, Apostolo R, Fausto R, Biczysko M, Barone V, Tarczay G |
10511 - 10523 |
Real-Time Drug Release Analysis of Enzyme and pH Responsive Polysaccharide Nanovesicles Pramod PS, Deshpande NU, Jayakannan M |
10524 - 10530 |
How Hydrophilic Proteins Form Nonspecific Complexes Ulucan O, Helms V |
10531 - 10542 |
Effects of Polyhexamethylene Biguanide and Polyquaternium-1 on Phospholipid Bilayer Structure and Dynamics Horner IJ, Kraut ND, Hurst JJ, Rook AM, Collado CM, Atilla-Gokcumen GE, Maziarz EP, Liu XM, Merchea MM, Bright FV |
10543 - 10553 |
Dual Effect of (LK)nL Peptides on the Onset of Insulin Amyloid Fiber Formation at Hydrophobic Surfaces Chouchane K, Vendrely C, Amari M, Moreaux K, Bruckert F, Weidenhaupt M |
10554 - 10565 |
Influence of pH and Surface Chemistry on Poly(L-lysine) Adsorption onto Solid Supports Investigated by Quartz Crystal Microbalance with Dissipation Monitoring Choi JH, Kim SO, Linardy E, Dreaden EC, Zhdanoy VP, Hammond PT, Cho NJ |
10566 - 10572 |
Transport Properties of Multivalent Cations in Nafion-117 Membrane with Mixed Ionic Composition Chaudhury S, Agarwal C, Goswami A |
10573 - 10585 |
Ionic Liquid Surfactant Mediated Structural Transitions and Self-Assembly of Bovine Serum Albumin in Aqueous Media: Effect of Functionalization of Ionic Liquid Surfactants Singh G, Kang TS |
10586 - 10596 |
Structural Characterization of Single-Stranded DNA Monolayers Using Two-Dimensional Sum Frequency Generation Spectroscopy Ho JJ, Skoff DR, Ghosh A, Zanni MT |
10597 - 10606 |
Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution Usui K, Hunger J, Sulpizi M, Ohto T, Bonn M, Nagata Y |
10607 - 10615 |
Ti3+ Aqueous Solution: Hybridization and Electronic Relaxation Probed by State-Dependent Electron Spectroscopy Seidel R, Atak K, Thurmer S, Aziz EF, Winter B |
10616 - 10629 |
Theoretical Study on the Solvation of C-60 Fullerene by Ionic Liquids II: DFT Analysis of the Interaction Mechanism Garcia G, Atilhan M, Aparicio S |
10630 - 10642 |
Molecular Dynamics Simulation Study of the Early Stages of Nucleation of Iron Oxyhydroxide Nanoparticles in Aqueous Solutions Zhang HZ, Waychunas GA, Banfield JF |
10643 - 10651 |
Proton Diffusivity in the Protic Ionic Liquid Triethylammonium Triflate Probed by Quasielastic Neutron Scattering Burankova T, Hempelmann R, Fossog V, Ollivier J, Seydel T, Embs JP |
10652 - 10663 |
Sign Crossover in All Maxwell-Stefan Diffusivities for Molten Salt LiF-BeF2: A Molecular Dynamics Study Chakraborty B |
10664 - 10672 |
Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study Liu XJ, Karsili TNV, Sobolewski AL, Domcke W |
10673 - 10681 |
Dynamic Responses and Initial Decomposition under Shock Loading: A DFTB Calculation Combined with MSST Method for beta-HMX with Molecular Vacancy He ZH, Chen J, Ji GF, Liu LM, Zhu WJ, Wu Q |
10682 - 10692 |
Vibrational Properties of the Phosphate Group Investigated by Molecular Dynamics and Density Functional Theory Andrushchenko V, Benda L, Pav O, Dracinsky M, Bour P |
10693 - 10700 |
Assessing Molecular Dynamics Simulations with Solvatochromism Modeling Schwabe T |
10701 - 10709 |
Combined Theoretical and Experimental Study of Refractive Indices of Water-Acetonitrile-Salt Systems An N, Zhuang BL, Li ML, Lu YY, Wang ZG |
10710 - 10719 |
Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water Mehandzhiyski AY, Riccardi E, van Erp TS, Trinh TT, Grimes BA |
10720 - 10726 |
Rotational Diffusion of Charged and Nondipolar Solutes in Ionic Liquid-Organic Solvent Mixtures: Evidence for Stronger Specific Solute-Solvent Interactions in Presence of Organic Solvent Prabhu SR, Dutt GB |
10727 - 10737 |
Solvation Thermodynamic Properties of Hydrogen Sulfide in [C(4)mim][PF6], [C(4)mim][BF4], and (C(4)mim][Cl] Ionic Liquids, Determined by Molecular Simulations Sanchez-Badillo J, Gallo M, Alvarado S, Glossman-Mitnik D |
10738 - 10749 |
Electron Dynamics and IR Peak Coalescence in Bridged Mixed Valence Dimers Studied by Ultrafast 2D-IR Spectroscopy Zoerb MC, Henderson JS, Glover SD, Lomont JP, Nguyen SC, Hill AD, Kubiak CP, Harris CB |
10750 - 10759 |
Control of X-ray Induced Electron and Nuclear Dynamics in Ammonia and Glycine Aqueous Solution via Hydrogen Bonding Unger I, Hollas D, Seidel R, Thurmer S, Aziz EF, Slavicek P, Winter B |
10760 - 10767 |
Bilayers at High pH in the Fatty Acid Soap Systems and the Applications for the Formation of Foams and Emulsions Xu WL, Zhang H, Zhong YP, Jiang LW, Xu MX, Zhu XL, Hao JC |
10768 - 10783 |
Predictive Calculation of the Crystallization Tendency of Model Pharmaceuticals in the Supercooled State from Molecular Dynamics Simulations Gerges J, Affouard F |
10784 - 10797 |
Measuring Compositions in Organic Depth Profiling: Results from a VAMAS Interlaboratory Study Shard AG, Havelund R, Spencer SJ, Gilmore IS, Alexander MR, Angerer TB, Aoyagi S, Barnes JP, Benayad A, Bernasik A, Ceccone G, Counsell JDP, Deeks C, Fletcher JS, Graham DJ, Heuser C, Lee TG, Marie C, Marzec MM, Mishra G, Rading D, Renault O, Scurr DJ, Shon HK, Spampinato V, Tian H, Wang FY, Winograd N, Wu K, Wucher A, Zhou YF, Zhu ZH |
10798 - 10806 |
Core Freezing and Size Segregation in Surfactant Core-Shell Micelles Plazzotta B, Dai J, Behrens MA, Furo I, Pedersen JS |
10807 - 10807 |
Octa-Coordination and the Aqueous Ba2+ Ion (vol 119, pg 8746, 2015) Chaudhari MI, Soniat M, Rempe SB |