Issue Publication Information

2024-9-19

Dimerization Promotes PKR Activation by Modulating Energetics of αC Helix Conversion between Active and Inactive Conformations

2024-9-18

Trp-cage-1,1,1,3,3,3-Hexafluoro-2-propanol-Water Interactions in a Nanosphere at 298 K

2024-9-17

Effects of Normal and Lateral Electric Fields on Membrane Mechanical Properties

2024-9-17

Characterizing Rotational Dynamics and Heterogeneity via Single-Molecule Intensity Measurements

2024-9-17

A Study on the Binding Mechanism and the Impact of Key Residue Mutations between SND1 and MTDH Peptide through Molecular Dynamics Simulations

2024-9-14

A Machine Learning Approach for Efficiently Predicting Polymer Aging from UV–Vis Spectra

2024-9-14

Strategic Design of Tryptophan–Aspartic Acid-Containing Peptide Inhibitors Using Coronin 1 as a Template: Inhibition of Fusion by Enhancing Acyl Chain Order

2024-9-13

Rigorous Models for Vapor Diffusion in Polymers with Immobilization and Chemical Potential Gradients

2024-9-13

Why is Dimeric 3D Domain Swapping in Antibody Light Chains Missing from the Solution? Atomistic Insights Mechanisms

2024-9-13

Structural Study of Aqueous Electrolyte Solution by MeV Liquid Electron Scattering

2024-9-13

Issue Publication Information

2024-9-12

Understanding the Effect of Ionic Liquid–Mediated Solvent Engineering on the Kinetics and Thermodynamic Stability of Phenylalanine Ammonia-Lyase

2024-9-12

Unified Role of the 145th Residue on the Fluorescence Lifetime of Fluorescent Proteins from the Jellyfish <i>Aequorea victoria</i>

2024-9-12

Solvent Effects on Spin–Orbit Charge-Transfer Intersystem Crossing in Aryl-Substituted Boron-dipyrromethene Donor–Acceptor Dyads

2024-9-12

Issue Editorial Masthead

2024-9-12

Counterion Blockade in a Heterogeneously Charged Single-File Water Channel

2024-9-11

Proton Transport Scenarios in Sulfuric Acid Explored via Ab Initio Molecular Dynamics Simulations

2024-9-11

Influence of Magnesium Ion Binding on the Adenosine Diphosphate Structure and Dynamics, Investigated by ³¹P NMR and Molecular Dynamics Simulations

2024-9-10

NMR Spectroscopy and Multiscale Modeling Shed Light on Ion–Solvent Interactions and Ion Pairing in Aqueous NaF Solutions

2024-9-10

Hemoglobin–PEG Interactions Probed by Small-Angle X-ray Scattering: Insights for Crystallization and Diagnostics Applications

2024-9-9

Interactions between Hyaluronic Acid and Chitosan by Isothermal Titration Calorimetry: The Effect of Ionic Strength, pH, and Polymer Molecular Weight

2024-9-9

Undulating Free Energy Landscapes Buffer Redox Chains from Environmental Fluctuations

2024-9-8

Damage Mechanisms in Polyalkenes Irradiated with Ultrashort XUV/X-Ray Laser Pulses

2024-9-6

Molecular Simulations to Investigate the Impact of N6-Methylation in RNA Recognition: Improving Accuracy and Precision of Binding Free Energy Prediction

2024-9-6

Membrane Stabilization of Helical Previtamin D Conformers as Possible Enhancement of Vitamin D Photoproduction

2024-9-6

Structure-Spectroscopy Correlation in the Self-Assembled Perylene Diimide-Based Dimers via Inter-Chromophore Coupling

2024-9-5

Effects of Hydrogen Bond Networks on Viscosity in Aqueous Solutions

2024-9-5

Issue Editorial Masthead

2024-9-5

Issue Publication Information

2024-9-5

Insight Into Interfacial Behaviors between Doxorubicin and Zwitterion/PAMAM/CQD Hybrid Nanocarrier. A Molecular Dynamics Simulations Study

2024-9-4

Insights into the Role of Side-Chain Team Work in nDsbD_Ox/Red Proteins: Mechanism of Substrate Binding

2024-9-4

Modulating the Self-Assembly of a Camptothecin Prodrug with Paclitaxel for Anticancer Combination Therapy: A Molecular Dynamics Approach

2024-9-4

Cellular and <i>In Vivo</i> Response to Industrial, Food Grade, and Photocatalytic TiO₂ Nanoparticles

2024-9-4

Tracking Disordered Extracellular Domains of Membrane Proteins in the Cell with Cu(II)-Based Spin Labels

2024-9-4

Triplet–Triplet Annihilation Upconversion from Red to Blue Light Using a TADF Sensitizer Based Polymer

2024-9-4

Ligand-Dependent and G Protein-Dependent Properties for the Sweet Taste Heterodimer, TAS1R2/1R3

2024-9-4

Theoretical Insights into the Catalytic Oxidation of Phenols and Arylamines by Laccases via the Proton-Coupled Electron Transfer Mechanism

2024-9-4

Thickness-Dependent Segmental Dynamics in Supported Thin Films: Insights from a Dynamically Correlated Network Model

2024-9-3

Employing Metadynamics to Predict the Membrane Partitioning of Carboxy-2<i>H</i>-Azirine Natural Products

2024-9-3

Role of Associated Water Dynamics on Protein Stability and Activity in Crowded Milieu

2024-9-3

Understanding the Adsorption and Diffusion Behaviors of PBUT in Biocompatible MOFs

2024-9-3

Gas-Phase Structures of Fucosylated Oligosaccharides: Alkali Metal and Halogen Influences

2024-9-3

Molecular Dynamics Simulations Show That Short Peptides Can Drive Synthetic Cell Division by Binding to the Inner Membrane Leaflet

2024-9-2

Rational Engineering of a β-Glucosidase (H0HC94) from Glycosyl Hydrolase Family I (GH1) to Improve Catalytic Performance on Cellobiose

2024-9-2

Aromatic Residues in Proteins: Re-Evaluating the Geometry and Energetics of π–π, Cation−π, and CH−π Interactions

2024-9-2

Synergistic Effects of Microplastics and Marine Pollutants on the Destabilization of Lipid Bilayers

2024-9-2

Ballistic Energy Transport via Long Alkyl Chains: A New Initiation Mechanism

2024-9-1

Isomerization, Protonation, and Hydrolysis Properties of Naphthalimide-Containing Spiropyran in Aqueous Media

2024-8-31

Dielectric and Shear-Mechanical “Humps” in the Nonlinear Response of Polar Glassformers

2024-8-30