2975 - 2983 |
Tau R3-R4 Domain Dimer of the Wild Type and Phosphorylated Ser356 Sequences. I. In Solution by Atomistic Simulations Derreumaux P, Man VH, Wang JM, Nguyen PH |
2984 - 2993 |
Nucleotide Binding and Active Site Gate Dynamics for the Hsp90 Chaperone ATPase Domain from Benchtop and High Field F-19 NMR Spectroscopy Rashid S, Lee BL, Wajda B, Spyracopoulos L |
2994 - 3001 |
Rotational Diffusion of Membrane Proteins in Crowded Membranes Javanainen M, Ollila OHS, Martinez-Seara H |
3002 - 3014 |
Intriguing Intermolecular Interplay in Guanine Quartet Complexes with Alkali and Alkaline Earth Cations Milovanovic B, Stanojevic A, Etinski M, Petkovic M |
3015 - 3026 |
Kohn-Sham Density Functional Calculations Reveal Proton Wires in the Enolization and Carboxylase Reactions Catalyzed by Rubisco Cummins PL, Gready JE |
3027 - 3035 |
Combining the Fragmentation Approach and Neural Network Potential Energy Surfaces of Fragments for Accurate Calculation of Protein Energy Wang ZL, Han YQ, Li JJ, He X |
3036 - 3042 |
Role of Cholesterol on Binding of Amyloid Fibrils to Lipid Bilayers Dias CL, Jalali S, Yang YX, Cruz L |
3043 - 3053 |
Examining Tail and Headgroup Effects on Binary and Ternary Gel-Phase Lipid Bilayer Structure Yang A, Moore TC, Iacovella CR, Thompson M, Moore DJ, McCabe C |
3054 - 3064 |
Interactions between Band 3 Anion Exchanger and Lipid Nanodomains in Ternary Lipid Bilayers: Atomistic Simulations Jin YP, Liang Q, Tieleman DP |
3065 - 3073 |
Hole Hopping through Cytochrome P450 Sorensen MLH, Sanders BC, Hicks LP, Rasmussen MH, Vishart AL, Kongsted J, Winkler JR, Gray HB, Hansen T |
3074 - 3082 |
Structural Comparison between Sucrose and Trehalose in Aqueous Solution Olsson C, Swenson J |
3083 - 3089 |
Role of Polar Protic Solvents in the Dissociation and Reactivity of Photogenerated Radical Ion Pairs Jonely M, Noriega R |
3090 - 3102 |
Theoretical Investigation of Dissolution and Decomposition Mechanisms of a Cellulose Fiber in Ionic Liquids Ishida T |
3103 - 3113 |
Full-Spectrum High-Resolution Modeling of the Dielectric Function of Water Fiedler J, Bostrom M, Persson C, Brevik I, Corkery R, Buhmann SY, Parsons DF |
3114 - 3122 |
Solvent Effects on the Symmetric and Asymmetric S(N)2 Reactions in the Acetonitrile Solution: A Reaction Density Functional Theory Study Tang WQ, Zhao JH, Jiang P, Xu XF, Zhao SL, Tong ZF |
3123 - 3136 |
Understanding The Role of Reline, a Natural DES, on Temperature-Induced Conformational Changes of C-Kit G-Quadruplex DNA: A Molecular Dynamics Study Pal S, Paul S |
3137 - 3144 |
Photon Upconversion in TTA-Inducing Ionic Liquids: Pinpointing the Role of IL Nanostructured Media Using MD Simulations Shimizu K, Hisamitsu S, Yanai N, Kimizuka N, Lopes JNC |
3145 - 3151 |
Electrification of Sonoluminescing Single Bubble Lee HB, Choi PK |
3152 - 3162 |
Dynamic Heterogeneities in Liquid Mixtures Confined in Nanopores Mhanna R, Catrou P, Dutta S, Lefort R, Essafri I, Ghoufi A, Muthmann M, Zamponi M, Frick B, Morineau D |
3163 - 3179 |
Design and Photo-Induced Dynamics of Radical-Chromophore Adducts with One- or Two-Atom Separation: Toward Potential Probes for High Field Optical DNP Experiments Kundu S, Rane V |
3180 - 3185 |
Molecular Simulation of Covalent Bond Dynamics in Liquid Silicon Remsing RC, Klein ML |
3186 - 3194 |
Revealing Structural Changes at Glass Transition via Radial Distribution Functions Ojovan MI, Louzguine-Luzgin DV |
3195 - 3205 |
Surface Potential Explained: A Surfactant Adsorption Model Incorporating Realistic Layer Thickness Peng MS, Duignan TT, Zhao XS, Nguyen AV |
3206 - 3213 |
An Analytical Model for Estimation of the Self-Diffusion Coefficient and Adsorption Kinetics of Surfactants Using Dynamic Interfacial Tension Measurements Mohammadi M, Zirrahi M, Hassanzadeh H |
3214 - 3220 |
Realistic Ion Dynamics through Charge Renormalization in Nonaqueous Electrolytes Li ZX, Robertson LA, Shkrob IA, Smith KC, Cheng L, Zhang L, Moore JS, Z Y |
3221 - 3227 |
Twisting of Charged Nanoribbons to Helicoids Driven by Electrostatics Zaldivar G, Conda-Sheridan M, Tagliazucchi M |