| 1233 - 1242 |
Internal Coordinate Molecular Dynamics: A Foundation for Multiscale Dynamics
Vaidehi N, Jain A |
| 1243 - 1258 |
Rationalizing the Catalytic Activity of Copper in the Cycloaddition of Azide and Alkynes (CuAAC) with the Topology of del(2)rho(r) and del del(2)rho(r)
Calvo-Losada S, Pino-Gonzalez MS, Quirante JJ |
| 1259 - 1264 |
Application of Functionalized Lanthanide-Based Nanoparticles for the Detection of Okadaic Acid-Specific Immunoglobulin G
Stipic F, Petikapic G, Jaksic Z, Frkanec L, Zgrablic G, Buric P, Lyons DM |
| 1265 - 1274 |
Hydrogen Sulfide Inhibits Amyloid Formation
Rosario-Alomar MF, Quinones-Ruiz T, Kurouski D, Sereda V, Ferreira EB, De Jesus-Kim L, Hernandez-Rivera S, Zagorevski DV, Lopez-Garriga J, Lednev IK |
| 1275 - 1287 |
Involvement of Propionate Side Chains of the Heme in Circular Dichroism of Myoglobin: Experimental and Theoretical Analyses
Nagai M, Kobayashi C, Nagai Y, Imai K, Mizusawa N, Sakurai H, Neya S, Kayanuma M, Shoji M, Nagatomo S |
| 1288 - 1294 |
Donor/Acceptor Coupling Shortcuts in Electron Transfer within Ruthenium-Modified Derivatives of Cytochrome b(562)
Prytkova TR, Shunaev VV, Glukhova OE, Kurnikov IV |
| 1295 - 1301 |
Probing Structural Determinants of ATP-Binding Cassette Exporter Conformational Transition Using Coarse-Grained Molecular Dynamics
Wang Z, Liao JL |
| 1302 - 1313 |
Atomistic Modeling of Two-Dimensional Electronic Spectra and Excited-State Dynamics for a Light Harvesting 2 Complex
van der Vegte CP, Prajapati JD, Kleinekathofer U, Knoester J, Jansen TLC |
| 1314 - 1322 |
Two-Dimensional Near Ultraviolet (2DNUV) Spectroscopic Probe of Structural-Dependent Exciton Dynamics in a Protein
Li J, Deng MS, Voronine DV, Mukamel S, Jiang J |
| 1323 - 1333 |
Are Protein Folding Intermediates the Evolutionary Consequence of Functional Constraints?
Naganathan AN, Sanchez-Ruiz JM, Munshi S, Suresh S |
| 1334 - 1349 |
Coexistence of Native-like and Non-Native Partially Unfolded Ferricytochrome c on the Surface of Cardiolipin-Containing Liposomes
Pandiscia LA, Schweitzer-Stenner R |
| 1350 - 1361 |
Mechanism of Stabilization of Helix Secondary Structure by Constrained C alpha-Tetrasubstituted alpha-Amino Acids
Maffucci I, Pellegrino S, Clayden J, Contini A |
| 1362 - 1373 |
The Open, the Closed, and the Empty: Time-Resolved Fluorescence Spectroscopy and Computational Analysis of RC-LH1 Complexes from Rhodopseudomonas palustris
Beyer SR, Muller L, Southall J, Cogdell RJ, Ullmann GM, Kohler J |
| 1374 - 1379 |
Evidence for Deep Acceptor Centers in Plant Photosystem I Crystals
Volotsenko I, Molotskii M, Borovikova A, Nelson N, Rosenwaks Y |
| 1380 - 1387 |
Folding of a beta-Sheet Miniprotein: Probability Fluxes, Streamlines, and the Potential for the Driving Force
Kalgin IV, Chekmarev SF |
| 1388 - 1406 |
Stepwise Microhydration of Aromatic Amide Cations: Formation of Water Solvation Network Revealed by Infrared Spectra of Formanilide(+)-(H2O)(n) Clusters (n <= 5)
Klyne J, Schmies M, Fujii M, Dopfer O |
| 1407 - 1415 |
A Structural Mechanism for Calcium Transporter Headpiece Closure
Smolin N, Robia SL |
| 1416 - 1424 |
Strategies for the Hyperpolarization of Acetonitrile and Related Ligands by SABRE
Mewis RE, Green RA, Cockett MCR, Cowley MJ, Duckett SB, Green GGR, John RO, Rayner PJ, Williamson DC |
| 1425 - 1432 |
pH-Jump Induced Leucine Zipper Folding beyond the Diffusion Limit
Donten ML, Hassan S, Popp A, Halter J, Hauser K, Hamm P |
| 1433 - 1442 |
Dehydration, Dissolution, and Melting of Cyclodextrin Crystals
Specogna E, Li KW, Djabourov M, Carn F, Bouchemal K |
| 1443 - 1456 |
Computational Study of the "DFG-Flip" Conformational Transition in c-Abl and c-Src Tyrosine Kinases
Meng YL, Lin YL, Roux B |
| 1457 - 1467 |
Tuning the Spectroscopic Properties of Aryl Carotenoids by Slight Changes in Structure
Fuciman M, Kesan G, LaFountain AM, Frank HA, Polivka T |
| 1468 - 1473 |
A QM/MM Free Energy Study of the Oxidation Mechanism of Dihydroorotate Dehydrogenase (Class 1A) from Lactococcus lactis
Silva JRA, Roitberg AE, Alves CN |
| 1474 - 1482 |
Interfacial Water Screens the Protein-Induced Transmembrane Voltage
Zarzycki P |
| 1483 - 1495 |
Spectroscopic Investigation of Interactions of New Potential Anticancer Drugs with DNA and Non-Ionic Micelles
Mazzoli A, Spalletti A, Carlotti B, Emiliani C, Fortuna CG, Urbanelli L, Tarpani L, Germani R |
| 1496 - 1502 |
Nonstraight Nanochannels Transfer Water Faster Than Straight Nanochannels
Qiu T, Meng XW, Huang JP |
| 1503 - 1514 |
Solubilities of Carbon Dioxide and Oxygen in the Ionic Liquids Methyl Trioctyl Ammonium Bis(trifluoromethylsulfonyl)imide, 1-Butyl-3-Methyl Imidazolium Bis(trifluoromethylsulfonyl)imide, and 1-Butyl-3-Methyl Imidazolium Methyl Sulfate
Bahadur I, Osman K, Coquelet C, Naidoo P, Ramjugernath D |
| 1515 - 1522 |
One- and Two-Photon Absorption of a Spiropyran-Merocyanine System: Experimental and Theoretical Studies
Matczyszyn K, Olesiak-Banska J, Nakatani K, Yu P, Murugan NA, Zalesny R, Roztoczynska A, Bednarska J, Bartkowiak W, Kongsted J, Agren H, Samoc M |
| 1523 - 1534 |
Effect of Ionic Size on Solvate Stability of Glyme-Based Solvate Ionic Liquids
Mandai T, Yoshida K, Tsuzuki S, Nozawa R, Masu H, Ueno K, Dokko K, Watanabe M |
| 1535 - 1545 |
Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics
Ong MT, Verners O, Draeger EW, van Duin ACT, Lordi V, Pask JE |
| 1546 - 1557 |
Unraveling the Behavior of the Individual Ionic Activity Coefficients on the Basis of the Balance of Ion-Ion and Ion-Water Interactions
Valisko M, Boda D |
| 1558 - 1566 |
Hydrogen Bond Dynamics in Primary Alcohols: A Femtosecond Infrared Study
Mazur K, Bonn M, Hunger J |
| 1567 - 1578 |
Computational and Experimental Study of the Behavior of Cyano-Based Ionic Liquids in Aqueous Solution
Batista MLS, Kurnia KA, Pinho SP, Gomes JRB, Coutinho JAP |
| 1579 - 1587 |
Energetic Contributions from the Cation and Anion to the Stability of Carbon Dioxide Dissolved in Imidazolium-Based Ionic Liquids
Ishizuka R, Matubayasi N, Tu KM, Umebayashi Y |
| 1588 - 1597 |
Computational Study of Molecular Structure and Self-Association of Tri-n-butyl Phosphates in n-Dodecane
Vo QN, Hawkins CA, Dang LX, Nilsson M, Nguyen HD |
| 1598 - 1610 |
Molecular Insights into the Role of Aqueous Trehalose Solution on Temperature-Induced Protein Denaturation
Paul S, Paul S |
| 1611 - 1622 |
Effect of Water on the Local Structure and Phase Behavior of Imidazolium-Based Protic Ionic Liquids
Yaghini N, Pitawala J, Matic A, Martinelli A |
| 1623 - 1632 |
Vapor Pressure of Perfluoroalkylalkanes: The Role of the Dipole
Morgado P, Das G, McCabe C, Filipe EJM |
| 1633 - 1640 |
Macroscopic and Microscopic Study of 1-Ethyl-3-methyl-imidazolium Acetate-DMSO Mixtures
Radhi A, Le KA, Ries ME, Budtova T |
| 1641 - 1653 |
Phase Behavior, Diffusion, Structural Characteristics, and pH of Aqueous Hydrophobic Ionic Liquid Confined Media: Insights into Microviscosity and Microporsity in the [C(4)C(4)im][NTf2] + Water System
Nanda R, Kumar A |
| 1654 - 1659 |
Dissolution of Cellulose in Room Temperature Ionic Liquids: Anion Dependence
Payal RS, Bejagam KK, Mondal A, Balasubramanian S |
| 1660 - 1668 |
Thermodynamics of Ice Nucleation in Liquid Water
Wang X, Wang S, Xu QZ, Mi JG |
| 1669 - 1680 |
Molecular and Structural Characterization of Hybrid Poly(ethylene oxide) Polyhedral Oligomeric Silesquioxanes Star-Shaped Macromolecules
Pozza GME, Crotty S, Rawiso M, Schubert US, Lutz PJ |
| 1681 - 1695 |
Polymorphism of Resorcinol Explored by Complementary Vibrational Spectroscopy (FT-RS, THz-TDS, INS) and First-Principles Solid-State Computations (Plane-Wave DFT)
Druzbicki K, Mikuli E, Palka N, Zalewski S, Ossowska-Chrusciel MD |
| 1696 - 1705 |
Insights into the Effects of 2:1 "Sandwich-Type" Crown-Ether/Metal-Ion Complexes in Responsive Host Guest Systems
Yu HR, Hu JQ, Lu XH, Ju XJ, Liu Z, Xie R, Wang W, Chu LY |
| 1706 - 1716 |
Small-Angle X-ray Scattering Insights into the Architecture-Dependent Emulsifying Properties of Amphiphilic Copolymers in Supercritical Carbon Dioxide
Alaimo D, Merino DH, Grignard B, Bras W, Jerome C, Debuigne A, Gommes CJ |
| 1717 - 1725 |
Hysteresis in the Surfactant-Induced Volume Transition of Hydrogels
Gernandt J, Hansson P |
| 1726 - 1735 |
Surface Charge Control through the Reversible Adsorption of a Biomimetic Polymer on Silica Particles
Hyde EDE, Moreno-Atanasio R, Millner PA, Neville F |
| 1736 - 1746 |
Nondestructive in Situ Characterization of Molecular Structures at the Surface and Buried Interface of Silicon-Supported Low-k Dielectric Films
Myers JN, Zhang XX, Bielefeld J, Lin QH, Chen Z |
| 1747 - 1755 |
Pick-Off Annihilation of Positronium in Matter Using Full Correlation Single Particle Potentials: Solid He
Zubiaga A, Tuomisto F, Puska MJ |
| 1756 - 1767 |
Raman Changes Induced by Electrochemical Oxidation of Poly(triarylamine)s: Toward a Relationship between Molecular Structure Modifications and Charge Generation
Cervantes T, Louarn G, de Santana H, Skorka L, Kulszewicz-Bajer I |
| 1768 - 1777 |
Mesophases and Ionic Conductivities of Simple Organic Salts of M(m-lodobenzoate) (M = Li+, Na+, K+, Rb+, and Cs+)
Endo M, Nakane Y, Takahashi K, Hoshino N, Takeda T, Noro S, Nakamura T, Akutagawa T |
| 1778 - 1784 |
Reduction Mechanism for Eu Ions in Al2O3-Containing Glasses by Heat Treatment in H-2 Gas
Nogami M |
| 1785 - 1785 |
Amyloid Fibril Nucleation: Effect of Amino Acid Hydrophobicity (vol 118, pg 5289, 2014)
Auer S |
