| 5771 - 5779 |
Hemoglobin Dynamics in Solution vis-a-vis Under Confinement: An Electrochemical Perspective
Samajdar RN, Asampille G, Atreya HS, Bhattacharyya AJ |
| 5780 - 5787 |
Electron-Vibrational Spectra and Dynamics of the Lutein Molecule
Kozlov MI, Poddubnyy VV |
| 5788 - 5800 |
In Vitro-In Silico Modeling Approach to Rationally Designed Simple and Versatile Drug Delivery Systems
Bouzo BL, Calvelo M, Martin-Pastor M, Garcia-Fandino R, de la Fuente M |
| 5801 - 5812 |
Botulinum Endopeptidase: SAXS Experiments and MD Simulations Reveal Extended Solution Structures That Account for Its Biochemical Properties
Kumar R, Maksudov F, Kononova O, Marx KA, Barsegov V, Singh BR |
| 5813 - 5824 |
Mechanistic Study of Potent Fluorinated EGFR Kinase Inhibitors with a Quinazoline Scaffold against L858R/T790M/C797S Resistance Mutation: Unveiling the Fluorine Substituent Cooperativity Effect on the Inhibitory Activity
Akher FB, Farrokhzadeh A, Ravenscroft N, Kuttel MM |
| 5825 - 5836 |
Molecular Modeling of Aquaporins from Leishmania major
Neumann LSM, Dias AHS, Skaf MS |
| 5837 - 5846 |
Nanoscale Interplay of Membrane Composition and Amyloid Self-Assembly
Menon S, Sengupta N, Das P |
| 5847 - 5857 |
Structural Dynamics of a Protein Domain Relevant to the Water-Oxidizing Complex in Photosystem II as Visualized by High-Speed Atomic Force Microscopy
Tokano T, Kato Y, Sugiyama S, Uchihashi T, Noguchi T |
| 5858 - 5871 |
Shape-Dependent Macromolecular Crowding on the Thermodynamics and Microsecond Conformational Dynamics of Protein Unfolding Revealed at the Single-Molecule Level
Das N, Sen P |
| 5872 - 5883 |
Atomic Force Microscopy Investigation of the Contributions of Listeria monocytogenes Cell-Wall Biomacromolecules to Their Adherence and Mechanics
Gordesli-Duatepe FP, Park BJ, Kawas LH, Abu-Lail NI |
| 5884 - 5898 |
Breakage of Hydrophobic Contacts Limits the Rate of Passive Lipid Exchange between Membranes
Rogers JR, Geissler PL |
| 5899 - 5906 |
Solvation Induced Ring Puckering Effect in Fluorinated Prolines and Its Inclusion in Classical Force Fields
Muralidharan A, Schmidt JR, Yethiraj A |
| 5907 - 5912 |
Critical Differences between the Binding Features of the Spike Proteins of SARS-CoV-2 and SARS-CoV
Bai C, Warshel A |
| 5913 - 5918 |
Heterochirality Restricts the Self-Assembly of Phenylalanine Dipeptides Capped with Highly Aromatic Groups
Gil AM, Casanovas J, Mayans E, Jimenez AI, Puiggali J, Aleman C |
| 5919 - 5929 |
Molecular Dynamics Simulations of Micelle Properties and Behaviors of Sodium Lauryl Ether Sulfate Penetrating Ceramide and Phospholipid Bilayers
Song Y, Lee JH, Jung I, Seo B, Hwang H |
| 5930 - 5939 |
Myelin-Associated MAL and PLP Are Unusual among Multipass Transmembrane Proteins in Preferring Ordered Membrane Domains
Castello-Serrano I, Lorent JH, Ippolito R, Levental KR, Levental I |
| 5940 - 5947 |
Effect of Helical Kink on Peptide Translocation across Phospholipid Membranes
Brozek R, Kabelka I, Vacha R |
| 5948 - 5956 |
Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Enterobacterial Common Antigen
Gao Y, Lee J, Widmalm G, Im W |
| 5957 - 5970 |
Proton Transport in [BMIM+][BF4-]/Water Mixtures Near the Percolation Threshold
Stoppelman JP, McDaniel JG |
| 5971 - 5985 |
Ultrafast Relaxations in Ruthenium Polypyridyl Chromophores Determined by Stochastic Kinetics Simulations
Cheshire TP, Brennaman MK, Giokas PG, Zigler DF, Moran AM, Papanikolas JM, Meyer GJ, Meyer TJ, Houle FA |
| 5986 - 5992 |
Influence of Hydrogen Bond Donor Identity and Intentional Water Addition on the Properties of Gelatin-Supported Deep Eutectic Solvent Gels
Owyeung RE, Sonkusale SR, Panzer MJ |
| 5993 - 6003 |
Assessment of the Role of 2,2,2-Trifluoroethanol Solvent Dynamics in Inducing Conformational Transitions in Melittin: An Approach with Solvent F-19 Low-Field NMR Relaxation and Overhauser Dynamic Nuclear Polarization Studies
Chaubey B, Dey A, Banerjee A, Chandrakumar N, Pal S |
| 6004 - 6014 |
Morphology Modulation of Ionic Surfactant Micelles in Ternary Deep Eutectic Solvents
Atri RS, Sanchez-Fernandez A, Hammond OS, Manasi I, Doutch J, Tellam JP, Edler KJ |
| 6015 - 6023 |
Pressure-Temperature Phase Diagram of Lithium, Predicted by Embedded Atom Model Potentials
Dorrell J, Partay LB |
| 6024 - 6036 |
Drying and Crystallization of Evaporating Sodium Nitrate Aerosol Droplets
Gregson FKA, Robinson JF, Miles REH, Royall CP, Reid JP |
| 6037 - 6045 |
Prediction of Lattice Constant of A(2)XY(6) Cubic Crystals Using Gene Expression Programming
Amar MN, Ghriga MA, Ben Seghier ME, Ouaer H |
| 6046 - 6054 |
Predicting Crystallization Tendency of Polymers Using Multifidelity Information Fusion and Machine Learning
Venkatram S, Batra R, Chen LH, Kim C, Shelton M, Ramprasad R |
| 6055 - 6073 |
Modification of AFLC Physical Properties by Doping with BaTiO3 Particles
Lalik S, Deptuch A, Jaworska-Golab T, Fryn P, Dardas D, Stefanczyk O, Urbanska M, Marzec M |
| 6074 - 6094 |
Counterion Condensation, the Gibbs Equation, and Surfactant Binding: An Integrated Description of the Behavior of Polyelectrolytes and Their Mixtures with Surfactants at the Air-Water Interface
Penfold J, Thomas RK |
| 6095 - 6104 |
Water Transport Mechanisms of Poly(acrylic acid), Poly(vinyl alcohol), and Poly(ethylene glycol) in C-S-H Nanochannels: A Molecular Dynamics Study
Yu J, Gao S, Hou DS, Wang P, Sun GX |
| 6105 - 6111 |
Photophysical and Theoretical Interpretation of the Insensitive Emission to Temperature of a Metallopolymer Containing Europium Ions
Turchetti DA, Zanlorenzi C, Duarte LGTA, Santos RFS, Atvars TDZ, Domingues RA, Akcelrud LC |
| 6112 - 6120 |
Vapor-Deposited Glasses Highlight the Role of Density in Photostability
Salerno KM, Lenhart JL, de Pablo JJ, Sirk TW |
| 6121 - 6131 |
y Thermodynamics-Structure-Dynamics Correlations and Nonuniversal Effects in the Elastically Collective Activated Hopping Theory of Glass-Forming Liquids
Mei BC, Zhou YX, Schweizer KS |
| 6132 - 6139 |
Molecular Investigation of Mechanical Properties and Fracture Behavior of Graphene Aerogel
Patil SP, Shendye P, Markert B |
| 6140 - 6146 |
Scattering Form Factor of Block Copolymer Micelles with Corona Chains Discretely Distributed on the Core Surface
Takahashi R, Fujii S, Akiba I, Sakurai K |
| 6147 - 6153 |
Probing the Strong Near-IR Two-Photon Transition in Supramolecular Triphenylamine-based Polymers by Nonlinear Absorption Spectroscopy
Dipold J, Vivas MG, Koeckelberghs G, Siqueira JP, De Boni L, Mendonca CR |
| 6154 - 6169 |
Effect of pH and Molecular Length on the Structure and Dynamics of Linear and Short-Chain Branched Poly(ethylene imine) in Dilute Solution: Scaling Laws from Detailed Molecular Dynamics Simulations
Mintis DG, Alexiou TS, Mavrantzas VG |
| 6170 - 6174 |
Heat-Driven Rigid-Body Rotation of a Mixture of Cholesteric Liquid Crystal Droplets and Colloids
Bono S, Maruyama Y, Nishiyama K, Tabe Y |
| 6175 - 6180 |
Thermal Molecular Motion Can Amplify Intermolecular Magnetic Interactions
Uchida Y, Watanabe G, Akita T, Nishiyama N |
