| 3747 - 3755 |
Analysis of Twisting of Cellulose Nanofibrils in Atomistic Molecular Dynamics Simulations
Paavilainen S, Rog T, Vattulainen I |
| 3756 - 3760 |
Convergent Raman Features in High Density Amorphous Ice, Ice VII, and Ice VIII under Pressure
Yoshimura Y, Stewart ST, Somayazulu M, Mao HK, Hemley RJ |
| 3761 - 3764 |
Network Deconstruction Reveals Network Structure in Responsive Microgels
Smith MH, Herman ES, Lyon LA |
| 3765 - 3776 |
Fully Doped Oligomers of Emeraldine Salt: Polaronic versus Bipolaronic Configuration
Petrova JN, Romanova JR, Madjarova GK, Ivanova AN, Tadjer AV |
| 3777 - 3783 |
Stimuli Response of Cystamine-Core Dendrimer Revealed by Diffusion and NOE NMR Studies
Feng XY, Cheng YY, Wu QL, Zhang JH, Xu TW |
| 3784 - 3792 |
Ultrafast Intramolecular Energy Relaxation Dynamics of Benzoporphyrins: Influence of Fused Benzo Rings on Singlet Excited States
Kim P, Sung J, Uoyama H, Okujima T, Uno H, Kim D |
| 3793 - 3803 |
Water-Soluble Nonstoichiometric Complexes between Sodium Poly(styrenesulfonate) and Cetylpyridinium Chloride in Aqueous NaCl Solutions. A Static and Dynamic Light Scattering Study
Prelesnik S, Larin S, Aseyev V, Tenhu H, Kogej K |
| 3804 - 3810 |
Rearrangements in and Release from Responsive Microgel-Polyelectrolyte Complexes Induced by Temperature and Time
Kleinen J, Richtering W |
| 3811 - 3818 |
Adsorption and Aggregation Behavior of Tetrasiloxane-Tailed Surfactants Containing Oligo(ethylene oxide) Methyl Ether and a Sugar Moiety
Wang GY, Qu WS, Du ZP, Cao QY, Li QX |
| 3819 - 3827 |
Consequences of Transient Heating on the Motional Dynamics of Cholesterol-Containing Phospholipid Vesicles
Pillman HA, Blanchard GJ |
| 3828 - 3837 |
Ionic Liquid-Induced Changes in Properties of Aqueous Cetyltrimethylammonium Bromide: A Comparative Study of Two Protic Ionic Liquids with Different Anions
Rao VG, Ghatak C, Ghosh S, Pramanik R, Sarkar S, Mandal S, Sarkar N |
| 3838 - 3847 |
Thermotropic Phase Behavior of Choline Soaps
Klein R, Dutton H, Diat O, Tiddy GJT, Kunz W |
| 3848 - 3859 |
An AIMD Study of the CPD Repair Mechanism in Water: Reaction Free Energy Surface and Mechanistic Implications
Hassanali AA, Zhong DP, Singer SJ |
| 3860 - 3871 |
An AIMD Study of CPD Repair Mechanism in Water: Role of Solvent in Ring Splitting
Hassanali AA, Zhong DP, Singer SJ |
| 3872 - 3888 |
Radiation Induced Redox Reactions and Fragmentation of Constituent Ions in Ionic Liquids. 1. Anions
Shkrob IA, Marin TW, Chemerisov SD, Wishart JF |
| 3889 - 3902 |
Radiation Induced Redox Reactions and Fragmentation of Constituent Ions in Ionic Liquids. 2. Imidazolium Cations
Shkrob IA, Marin TW, Chemerisov SD, Hatcher JL, Wishart JF |
| 3903 - 3911 |
On the Radiation Stability of Crown Ethers in Ionic Liquids
Shkrob IA, Marin TW, Dietz ML |
| 3912 - 3918 |
Hydrogen-Bonding Interactions and Protic Equilibria in Room-Temperature Ionic Liquids Containing Crown Ethers
Marin TW, Shkrob IA, Dietz ML |
| 3919 - 3923 |
Kinetics Inside the Protein: Shape of the Geminate Kinetics in Myoglobin
Hamdane D, Kiger L, Hui-Bon-Hoa G, Marden MC |
| 3924 - 3935 |
Enhancing QM/MM Molecular Dynamics Sampling in Explicit Environments via an Orthogonal-Space-Random-Walk-Based Strategy
Min DH, Chen ME, Zheng LQ, Jin YH, Schwartz MA, Sang QXA, Yang W |
| 3936 - 3941 |
Application of the Quantum Cluster Equilibrium (QCE) Model for the Liquid Phase of Primary Alcohols Using B3LYP and B3LYP-D DFT Methods
Matisz G, Kelterer AM, Fabian WMF, Kunsagi-Mate S |
| 3942 - 3948 |
Influence of Ester Functional Groups on the Liquid-Phase Structure and Solvation Properties of Imidazolium-Based Ionic Liquids
Pensado AS, Padua AAH, Gomes MFC |
| 3949 - 3958 |
Halogen Bonding Interactions between Brominated Ion Pairs and CO2 Molecules: Implications for Design of New and Efficient Ionic Liquids for CO2 Absorption
Zhu XA, Lu YX, Peng CJ, Hu J, Liu HL, Hu Y |
| 3959 - 3963 |
Turing Pattern Formation by the CIMA Reaction in a Chemical System Consisting of Quaternary Alkyl Ammonium Cationic Groups
Asakura K, Konishi R, Nakatani T, Nakano T, Kamata M |
| 3964 - 3971 |
Comparative Study of Commonly Used Molecular Dynamics Force Fields for Modeling Organic Monolayers on Water
Plazzer MB, Henry DJ, Yiapanis G, Yarovsky I |
| 3972 - 3980 |
Electrophoresis of a Charge-Regulated Sphere in a Narrow Cylindrical Pore Filled with Multiple Ionic Species
Hsu JP, Tai YH, Yeh LH, Tseng S |
| 3981 - 3991 |
Molecular Mixture as an Effective Single-Component System
Larsen RJ, Zukoski CF |
| 3992 - 4002 |
Driven Diffusion in a Periodically Compartmentalized Tube: Homogeneity versus Intermittency of Particle Motion
Makhnovskii YA, Berezhkovskii AM, Bogachev LV, Zitserman VY |
| 4003 - 4010 |
Phase Equilibria Study of {N-Hexylisoquinolinium bis{(trifluoromethyl)sulfonyl}imide plus Aromatic Hydrocarbons or an Alcohol} Binary Systems
Domanska U, Zawadzki M, Tshibangu MM, Ramjugernath D, Letcher TM |
| 4011 - 4024 |
Stokes Shift Dynamics in (Ionic Liquid plus Polar Solvent) Binary Mixtures: Composition Dependence
Daschakraborty S, Biswas R |
| 4025 - 4032 |
Solvent Dependence of Structure, Charge Distribution, and Absorption Spectrum in the Photochromic Merocyanine-Spiropyran Pair
Murugan NA, Chakrabarti S, Agren H |
| 4033 - 4041 |
Evaluation of Cation-Anion Interaction Strength in Ionic Liquids
Fernandes AM, Rocha MAA, Freire MG, Marrucho IM, Coutinho JAP, Santos LMNBF |
| 4042 - 4052 |
Excitonic Energy Level Structure and Pigment-Protein Interactions in the Recombinant Water-Soluble Chlorophyll Protein. I. Difference Fluorescence Line-Narrowing
Pieper J, Ratsep M, Trostmann I, Paulsen H, Renger G, Freiberg A |
| 4053 - 4065 |
Excitonic Energy Level Structure and Pigment-Protein Interactions in the Recombinant Water-Soluble Chlorophyll Protein. II. Spectral Hole-Burning Experiments
Pieper J, Ratsep M, Trostmann I, Schmitt FJ, Theiss C, Paulsen H, Eichler HJ, Freiberg A, Renger G |
| 4066 - 4077 |
How Is a Co-Methyl Intermediate Formed in the Reaction of Cobalamin-Dependent Methionine Synthase? Theoretical Evidence for a Two-Step Methyl Cation Transfer Mechanism
Chen SL, Blomberg MRA, Siegbahn PEM |
| 4078 - 4087 |
Existence of Metastable Intermediate Lysozyme Conformation Highlights the Role of Alcohols in Altering Protein Stability
D'Amico M, Raccosta S, Cannas M, Martorana V, Manno M |
| 4088 - 4098 |
UV Resonance Raman Study of TTR(105-115) Structural Evolution as a Function of Temperature
Pieridou G, Avgousti-Menelaou C, Tamamis P, Archontis G, Hayes SC |
| 4099 - 4109 |
Role of Solvent for the Dynamics and the Glass Transition of Proteins
Jansson H, Bergman R, Swenson J |
| 4110 - 4117 |
Isothermal Titration Calorimetric and Computational Studies on the Binding of Chitooligosaccharides to Pumpkin (Cucurbita maxima) Phloem Exudate Lectin
Narahari A, Singla H, Nareddy PK, Bulusu G, Surolia A, Swamy MJ |
| 4118 - 4127 |
Molecular-Level Origins of Biomass Recalcitrance: Decrystallization Free Energies for Four Common Cellulose Polymorphs
Beckham GT, Matthews JF, Peters B, Bomble YJ, Himmel ME, Crowley MF |
| 4128 - 4137 |
Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra
Hopmann KH, Ruud K, Pecul M, Kudelski A, Dracinsky M, Bour P |
| 4138 - 4146 |
Histidine E7 Dynamics Modulates Ligand Exchange between Distal Pocket and Solvent in AHb(1) from Arabidopsis thaliana
Spyrakis F, Faggiano S, Abbruzzetti S, Dominici P, Cacciatori E, Astegno A, Droghetti E, Feis A, Smulevich G, Bruno S, Mozzareli A, Cozzini P, Viappiani C, Bidon-Chanal A, Luque FJ |
| 4147 - 4159 |
Exploring the Thermodynamic Landscape, Kinetics, and Structural Evolution of a Protein Conformational Transition with a Microscopic Double-Well Model
Lai ZZ, Lu QA, Wang J |
| 4160 - 4167 |
Di-8-ANEPPS Emission Spectra in Phospholipid/Cholesterol Membranes: A Theoretical Study
Robinson D, Besley NA, O'Shea P, Hirst JD |
| 4168 - 4176 |
Molecular Mechanism of the Affinity Interactions between Protein A and Human Innmunoglobulin G1 Revealed by Molecular Simulations
Huang B, Liu FF, Dong XY, Sun Y |
| 4177 - 4183 |
Electric Birefringence at Small Angles from Crossed Position: Enhanced Sensitivity and Special Effects
Porschke D |
| 4184 - 4194 |
Anti-Stokes Fluorescence Spectra of Chloroplasts in Parachlorella kessleri and Maize at Room Temperature as Characterized by Near-Infrared Continuous-Wave Laser Fluorescence Microscopy and Absorption Microscopy
Hasegawa M, Yoshida T, Yabuta M, Terazima M, Kumazaki S |
| 4195 - 4205 |
Insights into the Mechanism of Aggregation and Fibril Formation from Bovine Serum Albumin
Bhattacharya M, Jain N, Mukhopadhyay S |
| 4206 - 4215 |
Can Uranium Be Transported by the Iron-Acquisition Pathway? Ur Uptake by Transferrin
Hemadi M, Ha-Duong NT, Chahine JME |
| 4216 - 4226 |
Physics-Based De Novo Prediction of RNA 3D Structures
Cao S, Chen SJ |
| 4227 - 4233 |
An ONIOM Study of the Spin Density Distribution of the Q(A) Site Plastosemiquinone in the Photosystem II Reaction Center
Lin TJ, O'Malley PJ |
| 4234 - 4243 |
Circular Dichroism and Ultraviolet Resonance Raman Indicate Little Arg-Glu Side Chain alpha-Helix Peptide Stabilization
Hong ZM, Ahmed Z, Asher SA |
| 4244 - 4250 |
Electron-Transfer Reactions between the Diamagnetic Cation of alpha-Tocopherol (Vitamin E) and beta-Carotene
Tan YS, Webster RD |
| 4251 - 4258 |
Ultraviolet Resonance Raman Study of Side Chain Electrostatic Control of Poly-L-Lysine Conformation
Ma L, Ahmed Z, Asher SA |
| 4259 - 4265 |
Fibrillation of Egg White Ovalbumin: A Pathway via Biomineralization
Pal P, Mahato M, Kamilya T, Tah B, Sarkar R, Talapatra GB |
| 4266 - 4272 |
Dehaloperoxidase-Hemoglobin from Amphitrite ornata Is Primarily a Monomer in Solution
Thompson MK, Franzen S, Davis MF, Oliver RC, Krueger JK |
