11007 - 11027 |
Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models Goyal P, Qian HJ, Irle S, Lu XY, Roston D, Mori T, Elstner M, Cui Q |
11028 - 11036 |
Role of Microscopic Flexibility in Tightly Curved DNA Taranova M, Hirsh AD, Perkins NC, Andricioaei I |
11037 - 11049 |
Replica-Exchange Molecular Dynamics Simulations of Cellulose Solvated in Water and in the Ionic Liquid 1-Butyl-3-Methylimidazolium Chloride Mostofian B, Cheng XL, Smith JC |
11050 - 11064 |
Targeting Double-Stranded RNA with Spermine, 1-Naphthylacetyl Spermine and Spermidine: A Comparative Biophysical Investigation Kabir A, Kumar GS |
11065 - 11076 |
Polymeric Assembly of Gluten Proteins in an Aqueous Ethanol Solvent Dahesh M, Banc A, Duri A, Morel MH, Ramos L |
11077 - 11089 |
A Hybrid QM/MM Simulation Study of Intramolecular Proton Transfer in the Pyridoxal 5'-Phosphate in the Active Site of Transaminase: Influence of Active Site Interaction on Proton Transfer Banik SD, Chandra A |
11090 - 11099 |
Spectroscopic and Thermodynamic Insights into the Interaction between Proflavine and Human Telomeric G-Quadruplex DNA Kumar V, Sengupta A, Gavvala K, Koninti RK, Hazra P |
11100 - 11108 |
Electronic Circular Dichroism of the Chiral Rigid Tricyclic Dilactam with Nonplanar Tertiary Amide Groups Pazderkova M, Profant V, Seidlerova B, Dlouha H, Hodacova J, Javorfi T, Siligardi G, Baumruk V, Bednarova L, Malon P |
11109 - 11119 |
Revealing the Functional States in the Active Site of BLUF Photoreceptors from Electrochromic Shift Calculations Collette F, Renger T, Busch MSA |
11120 - 11128 |
Local Isotropic Diffusion Approximation for Coupled Internal and Overall Molecular Motions in NMR Spin Relaxation Gill ML, Palmer AG |
11129 - 11136 |
Translational Diffusion of Cyclic Peptides Measured Using Pulsed-Field Gradient NMR Wang CK, Northfield SE, Swedberg JE, Harvey PJ, Mathiowetz AM, Price DA, Liras S, Craik DJ |
11137 - 11144 |
DFT Reinvestigation of DNA Strand Breaks Induced by Electron Attachment Chen HY, Yang PY, Chen HF, Kao CL, Liao LW |
11145 - 11151 |
Distribution of Neutral Lipids in the Lipid Droplet Core Chaban VV, Khandelia H |
11152 - 11160 |
Aggregates from Perylene Bisimide Oligopeptides as a Test Case for Giant Vibrational Circular Dichroism Marty R, Frauenrath H, Helbing J |
11161 - 11171 |
Hierarchical Surface Charge Dependent Phase States of Gelatin-Bovine Serum Albumin Dispersions Close to Their Common pI Pathak J, Rawat K, Aswal VK, Bohidar HB |
11172 - 11189 |
High Efficiency Light Harvesting by Carotenoids in the LH2 Complex from Photosynthetic Bacteria: Unique Adaptation to Growth under Low-Light Conditions Magdaong NM, LaFountain AM, Greco JA, Gardiner AT, Carey AM, Cogdell RJ, Gibson GN, Birge RR, Frank HA |
11190 - 11199 |
Spectroscopic Study of a Light-Driven Chloride Ion Pump from Marine Bacteria Inoue K, Koua FHM, Kato Y, Abe-Yoshizumi R, Kandori H |
11200 - 11208 |
Alamethicin Disrupts the Cholesterol Distribution in Dimyristoyl Phosphatidylcholine-Cholesterol Lipid Bilayers Qian S, Rai D, Heller WT |
11209 - 11219 |
Prototropic Transformation and Rotational-Relaxation Dynamics of a Biological Photosensitizer Norharmane inside Nonionic Micellar Aggregates Paul BK, Ghosh N, Mukherjee S |
11220 - 11230 |
Interactions between Amyloid-beta and Tau Fragments Promote Aberrant Aggregates: Implications for Amyloid Toxicity Do TD, Economou NJ, Chamas A, Buratto SK, Shea JE, Bowers MT |
11231 - 11237 |
Comparison of Cholesterol and 25-Hydroxycholesterol in Phase-Separated Langmuir Monolayers at the Air-Water Interface Stottrup BL, Hernandez-Balderrama LH, Kunz JC, Nguyen AH, Sonquist BJ |
11238 - 11252 |
Cationic Spin Probe Reporting on Thermal Denaturation and Complexation-Decomplexation of BSA with SDS. Potential Applications in Protein Purification Processes Matei I, Ariciu AM, Neacsu MV, Collauto A, Salifoglou A, Ionita G |
11253 - 11258 |
Hydrogen Bonded Networks in Supercritical Water Sun Q, Wang QQ |
11259 - 11270 |
Solvatochromic Probe Response within Ionic Liquids and Their Equimolar Mixtures with Tetraethylene Glycol Rai R, Pandey S |
11271 - 11283 |
Theoretical Study of the Formation of Mercury (Hg2+) Complexes in Solution Using an Explicit Solvation Shell in Implicit Solvent Calculations Afaneh AT, Schreckenbach G, Wang FY |
11284 - 11294 |
Effects of Temperature on the Properties of Glycerol: A Computer Simulation Study of Five Different Force Fields Jahn DA, Akinkunmi FO, Giovambattista N |
11295 - 11309 |
Computational and Experimental Investigation of Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], and [EMIM][BF4] Haskins JB, Bennett WR, Wu JJ, Hernandez DM, Borodin O, Monk JD, Bauschlicher CW, Lawson JW |
11310 - 11322 |
Structure of Alkylcarbonate plus n-Alkane Mixed Fluids Garcia G, Trenzado JL, Alcalde R, Rodriguez-Delgado A, Atilhan M, Aparicio S |
11323 - 11329 |
Nonmonotonic Rayleigh-Taylor Instabilities Driven by Gas-Liquid CO2 Chemisorption Wylock C, Rednikov A, Haut B, Colinet P |
11330 - 11340 |
Theoretical Study on the Solvation of C60 Fullerene by Ionic Liquids Garcia G, Atilhan M, Aparicio S |
11341 - 11352 |
Factors Controlling the Enhanced Mechanical and Thermal Properties of Nanodiamond-Reinforced Cross-Linked High Density Polyethylene Roumeli E, Pavlidou E, Avgeropoulos A, Vourlias G, Bikiaris DN, Chrissafis K |
11353 - 11364 |
Self-Assembly in Nafion Membranes upon Hydration: Water Mobility and Adsorption Isotherms Vishnyakov A, Neimark AV |
11365 - 11374 |
Competing Salt Effects on Phase Behavior of Protein Solutions: Tailoring of Protein Interaction by the Binding of Multivalent Ions and Charge Screening Jordan E, Roosen-Runge F, Leibfarth S, Zhang FJ, Sztucki M, Hildebrandt A, Kohlbacher O, Schreiber F |
11375 - 11386 |
Radically Coarse-Grained Approach to the Modeling of Chemical Degradation in Fuel Cell Ionomers Ghelichi M, Melchy PEA, Eikerling MH |
11387 - 11396 |
Liquid Crystalline Phase Formation in Suspensions of Solid Trimyristin Nanoparticles Gehrer S, Schmiele M, Westermann M, Steiniger F, Unruh T |
11397 - 11405 |
Multistep Kinetic Behavior in the Thermal Degradation of Poly(L-Lactic Acid): A Physico-Geometrical Kinetic Interpretation Yoshikawa M, Goshi Y, Yamada S, Koga N |
11406 - 11415 |
Single-Molecule Tracking Studies of Flow-Induced Microdomain Alignment in Cylinder-Forming Polystyrene-Poly(ethylene oxide) Diblock Copolymer Films Tran-Ba KH, Higgins DA, Ito T |