| 1 - 7 |
Editorial for January 2018 for JPC A/B/C
McCoy AB, Shea JE, Murphy CJ, Schatz GC |
| 8 - 18 |
Ultrafast Time-Resolved Studies on Fluorescein for Recognition Strands Architecture in Amyloid Fibrils
Hanczyc P, Mikhailovsky A, Boyer DR, Sawaya MR, Heeger A, Eisenberg D |
| 19 - 27 |
Ultrafast Photodynamics of Glucose
Petersen J, Lindner JO, Mitric R |
| 28 - 39 |
Energy Landscape of the Substrate Translocation Equilibrium of Plasma-Membrane Glutamate Transporters
Wang JL, Albers T, Grewer C |
| 40 - 53 |
pH-Dependent Singlet O-2 Oxidation Kinetics of Guanine and 9-Methylguanine: An Online Mass Spectrometry and Spectroscopy Study Combined with Theoretical Exploration
Lu WC, Sun Y, Zhou WJ, Liu JB |
| 54 - 67 |
Theory of FRET "Spectroscopic Ruler" for Short Distances: Application to Polyproline
Sobakinskaya E, Busch MSA, Renger T |
| 68 - 76 |
Direct Anionic Effect on Water Structure and Indirect Anionic Effect on Peptide Backbone Hydration State Revealed by Thin-Layer Infrared Spectroscopy
Zhao J, Wang JP |
| 77 - 85 |
Modeling of Human Fatty Acid Synthase and &ITin Silico&IT Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains
Viegas MF, Neves RPP, Ramos MJ, Fernandes PA |
| 86 - 97 |
Experimental Evidence for Noncanonical Thymine Cation Radicals in the Gas Phase
Dang A, Nguyen HTH, Ruiz H, Piacentino E, Ryzhoy V, Turecek F |
| 98 - 105 |
SOMO-HOMO Level Inversion in Biologically Important Radicals
Kumar A, Sevilla MD |
| 106 - 116 |
Folding Simulations of a Nuclear Receptor Box-Containing Peptide Demonstrate the Structural Persistence of the LxxLL Motif Even in the Absence of Its Cognate Receptor
Adamidou T, Arvaniti KO, Glykos NM |
| 117 - 125 |
An Electrochemical Reaction-Diffusion Model of the Photocatalytic Effect of Photosystem I Multilayer Films
Robinson MT, Cliffel DE, Jennings GK |
| 126 - 136 |
Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions
Mendive-Tapia D, Mangaud E, Firmino T, de la Lande A, Desouter-Lecomte M, Meyer HD, Gatti F |
| 137 - 143 |
A Versatile Approach to Attachment of Triarylmethyl Labels to DNA for Nanoscale Structural EPR Studies at Physiological Temperatures
Shevelev GY, Gulyak EL, Lomzov AA, Kuzhelev AA, Krumkacheva OA, Kupryushkin MS, Tormyshev VM, Fedin MV, Bagryanskaya EG, Pyshnyi DV |
| 144 - 153 |
Spectroscopic Signature for Stable beta-Amyloid Fibrils versus beta-Sheet-Rich Oligomers
Lomont JP, Rich KL, Maj M, Ho JJ, Ostrander JS, Zanni MT |
| 154 - 164 |
Strategy for Modeling the Electrostatic Responses of the Spectroscopic Properties of Proteins
Torii H |
| 165 - 170 |
Unique Hydrogen Bonds in Membrane Protein Monitored by Whole Mid-IR ATR Spectroscopy in Aqueous Solution
Ito S, Iwaki M, Sugita S, Abe-Yoshizumi R, Iwata T, Inoue K, Kandori H |
| 171 - 180 |
Receptor-Mediated Endocytosis of Nanoparticles: Roles of Shapes, Orientations, and Rotations of Nanoparticles
Tang HY, Zhang HW, Ye HF, Zheng YG |
| 181 - 193 |
Molecular Level Understanding of Sodium Dodecyl Sulfate (SDS) Induced Sol-Gel Transition of Pluronic F127 Using Fisetin as a Fluorescent Molecular Probe
Mishra J, Swain J, Mishra AK |
| 194 - 199 |
Cationic Gemini Surfactant-Plasmid Deoxyribonucleic Acid Condensates as a Single Amphiphilic Entity
Shortall SM, Wettig SD |
| 200 - 212 |
Activated Wetting of Nanostructured Surfaces: Reaction Coordinates, Finite Size Effects, and Simulation Pitfalls
Amabili M, Meloni S, Giacomello A, Casciola CM |
| 213 - 228 |
Globular, Sponge-like to Layer-like Morphological Transition in 1-&ITn&IT-Alkyl-3-methylimidazolium Octylsulfate Ionic Liquid Homologous Series
Kapoor U, Shah JK |
| 229 - 239 |
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
Cao WD, Wang YT, Saielli G |
| 240 - 249 |
Charging and Transport Dynamics of a Flow-Through Electrode Capacitive Deionization System
Qu YT, Campbell PG, Hemmatifar A, Knipe JM, Loeb CK, Reidy JJ, Hubert MA, Stadermann M, Santiago JG |
| 250 - 257 |
Grotthuss Transport of Iodide in EMIM/I-3 Ionic Crystal
McDaniel JG, Yethiraj A |
| 258 - 266 |
Cellulose Crystal Dissolution in Imidazolium-Based Ionic Liquids: A Theoretical Study
Uto T, Yamamoto K, Kadokawa J |
| 267 - 274 |
Ion Speciation and Transport Properties of LiTFSI in 1,3-Dioxolane Solutions: A Case Study for Li-S Battery Applications
Raccichini R, Dibden JW, Brew A, Owen JR, Garcia-Araez N |
| 275 - 289 |
Solvation Structure of Sodium Bis(fluorosulfonyl)imide-Glyme Solvate Ionic Liquids and Its Influence on Cycling of Na-MNC Cathodes
Geysens P, Rangasamy VS, Thayumanasundaram S, Robeyns K, Van Meervelt L, Locquet JP, Fransaer J, Binnemans K |
| 290 - 296 |
Statistical Mechanics-Based Theoretical Investigation of Solvation Effects on Glucose Anomer Preferences
Arifin, Yokogawa D, Schnupf U, Irle S |
| 297 - 308 |
On the Thermodynamic Stability of Clathrate Hydrates VI: Complete Phase Diagram
Tanaka H, Yagasaki T, Matsumoto M |
| 309 - 315 |
Equilibrium in Protic Ionic Liquids: The Degree of Proton Transfer and Thermodynamic Properties
Chen KZ, Wang YT, Yao J, Li HR |
| 316 - 327 |
NH Tautomerism of a Quadruply Fused Porphyrin: Rigid Fused Structure Delays the Proton Transfer
Saegusa Y, Ishizuka T, Shiota Y, Yoshizawa K, Kojima T |
| 328 - 337 |
Ultrafast Electron Transfer across a Nanocapsular Wall: Coumarins as Donors, Viologen as Acceptor, and Octa Acid Capsule as the Mediator
Chuang CH, Porel M, Choudhury R, Burda C, Ramamurthy V |
| 338 - 347 |
Fragment Molecular Orbital Based Parametrization Procedure for Mesoscopic Structure Prediction of Polymeric Materials
Okuwaki K, Mochizuki Y, Doi H, Ozawa T |
| 348 - 359 |
Tuning the Viscoelastic-Gel Transition of Single-Wall Carbon Nanotubes Embedded in pH-Responsive Polyelectrolyte Solutions
Selmani A, Tavera-Vazquez A, Garza C, Castillo R |
| 360 - 368 |
Influence of the Location of Attractive Polymer-Pore Interactions on Translocation Dynamics
Ghosh B, Chaudhury S |
| 369 - 379 |
Experimental and Molecular Modeling Evaluation of the Physicochemical Properties of Proline-Based Deep Eutectic Solvents
van den Bruinhorst A, Spyriouni T, Hill JR, Kroon MC |
| 380 - 391 |
Properties of Single-Walled Aluminosilicate Nanotube/Poly(vinyl alcohol) Aqueous Dispersions
Su CY, Yang AC, Jiang JS, Yang ZH, Huang YS, Kang DY, Hua CC |
| 392 - 397 |
Molecular Dynamics Simulations of Strain-Induced Phase Transition of Poly(ethylene oxide) in Water
Donets S, Sommer JU |
