OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Physical Chemistry B is 42. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2020-04-01 to 2024-04-01.)

Article	Citations
Developing a Fully Glycosylated Full-Length SARS-CoV-2 Spike Protein Model in a Viral Membrane	225
Molecular Details of Protein Condensates Probed by Microsecond Long Atomistic Simulations	126
Emerging Ionic Soft Materials Based on Deep Eutectic Solvents	108
Does SARS-CoV-2 Bind to Human ACE2 More Strongly Than Does SARS-CoV?	107
Unraveling Molecular Interactions in Liquid–Liquid Phase Separation of Disordered Proteins by Atomistic Simulations	102
Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics	94
Polariton-Mediated Electron Transfer via Cavity Quantum Electrodynamics	90
Microstructure of Deep Eutectic Solvents: Current Understanding and Challenges	88
Structural Basis of the Potential Binding Mechanism of Remdesivir to SARS-CoV-2 RNA-Dependent RNA Polymerase	88
Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline	85
Mechanisms of Airborne Infection via Evaporating and Sedimenting Droplets Produced by Speaking	82
A Data-Driven Hydrophobicity Scale for Predicting Liquid–Liquid Phase Separation of Proteins	70
Biomolecular QM/MM Simulations: What Are Some of the “Burning Issues”?	69
Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular Simulations	69
Polymers with Dynamic Bonds: Adaptive Functional Materials for a Sustainable Future	68
Dynamic Network Modeling of Allosteric Interactions and Communication Pathways in the SARS-CoV-2 Spike Trimer Mutants: Differential Modulation of Conformational Landscapes and Signal Transmission via	66
Antiviral Peptides as Promising Therapeutics against SARS-CoV-2	64
Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods	61
Integrated Biophysical Modeling of the SARS-CoV-2 Spike Protein Binding and Allosteric Interactions with Antibodies	60
Critical Sequence Hotspots for Binding of Novel Coronavirus to Angiotensin Converter Enzyme as Evaluated by Molecular Simulations	55
Accelerating COVID-19 Research Using Molecular Dynamics Simulation	54
Frustration in Fuzzy Protein Complexes Leads to Interaction Versatility	53
AlphaFold, Artificial Intelligence (AI), and Allostery	53
Efficient and Accurate Simulations of Vibrational and Electronic Spectra with Symmetry-Preserving Neural Network Models for Tensorial Properties	52
Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies	52

Introducing Memory in Coarse-Grained Molecular Simulations	52
Protein Stability in TMAO and Mixed Urea–TMAO Solutions	51
Insights into the Polyhexamethylene Biguanide (PHMB) Mechanism of Action on Bacterial Membrane and DNA: A Molecular Dynamics Study	49
Biomolecular Condensates: Sequence Determinants of Phase Separation, Microstructural Organization, Enzymatic Activity, and Material Properties	48
Critical Differences between the Binding Features of the Spike Proteins of SARS-CoV-2 and SARS-CoV	48
Universal and Nonuniversal Aspects of Electrostatics in Aqueous Nanoconfinement	48
Prediction of Amphiphilic Cell-Penetrating Peptide Building Blocks from Protein-Derived Amino Acid Sequences for Engineering of Drug Delivery Nanoassemblies	46
Quantitative Analysis of Doping-Induced Polarons and Charge-Transfer Complexes of Poly(3-hexylthiophene) in Solution	46
Macromolecular Crowding: How Shape and Interactions Affect Diffusion	46
Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations	46
UV-to-IR Absorption of Molecularly p-Doped Polythiophenes with Alkyl and Oligoether Side Chains: Experiment and Interpretation Based on Density Functional Theory	44
Biophysics of Phase Separation of Disordered Proteins Is Governed by Balance between Short- And Long-Range Interactions	43
Exciton Delocalization in Indolenine Squaraine Aggregates Templated by DNA Holliday Junction Scaffolds	43
Effect of Buffer on Protein Stability in Aqueous Solutions: A Simple Protein Aggregation Model	43
Uncovering Differences in Hydration Free Energies and Structures for Model Compound Mimics of Charged Side Chains of Amino Acids	42
Effect of Water on a Hydrophobic Deep Eutectic Solvent	42
Capturing Biologically Complex Tissue-Specific Membranes at Different Levels of Compositional Complexity	42
Protein Phase Separation Arising from Intrinsic Disorder: First-Principles to Bespoke Applications	42
Temperature-Responsive Peptide–Nucleotide Coacervates	42
Molecular Dynamics Insights and Water Stability of Hydrophobic Deep Eutectic Solvents Aided Extraction of Nitenpyram from an Aqueous Environment	42