OOIR: Observatory of International Research

Papers

(The H4-Index of Journal of Physical Chemistry B is 37. 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 2020-11-01 to 2024-11-01.)

Article	Citations
Molecular Details of Protein Condensates Probed by Microsecond Long Atomistic Simulations	147
Microstructure of Deep Eutectic Solvents: Current Understanding and Challenges	97
A Data-Driven Hydrophobicity Scale for Predicting Liquid–Liquid Phase Separation of Proteins	90
Polymers with Dynamic Bonds: Adaptive Functional Materials for a Sustainable Future	89
Biomolecular QM/MM Simulations: What Are Some of the “Burning Issues”?	79
Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular Simulations	73
AlphaFold, Artificial Intelligence (AI), and Allostery	71
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	68
Integrated Biophysical Modeling of the SARS-CoV-2 Spike Protein Binding and Allosteric Interactions with Antibodies	68
Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies	65
Introducing Memory in Coarse-Grained Molecular Simulations	64
Biomolecular Condensates: Sequence Determinants of Phase Separation, Microstructural Organization, Enzymatic Activity, and Material Properties	62
Effect of Buffer on Protein Stability in Aqueous Solutions: A Simple Protein Aggregation Model	59
Frustration in Fuzzy Protein Complexes Leads to Interaction Versatility	58
Accelerating COVID-19 Research Using Molecular Dynamics Simulation	57
Effect of Water on a Hydrophobic Deep Eutectic Solvent	56
Protein Phase Separation Arising from Intrinsic Disorder: First-Principles to Bespoke Applications	56
Influence of Ionic Strength on Hydrophobic Interactions in Water: Dependence on Solute Size and Shape	55
Uncovering Differences in Hydration Free Energies and Structures for Model Compound Mimics of Charged Side Chains of Amino Acids	52
UMAP as a Dimensionality Reduction Tool for Molecular Dynamics Simulations of Biomacromolecules: A Comparison Study	50
UV-to-IR Absorption of Molecularly p-Doped Polythiophenes with Alkyl and Oligoether Side Chains: Experiment and Interpretation Based on Density Functional Theory	49
Biophysics of Phase Separation of Disordered Proteins Is Governed by Balance between Short- And Long-Range Interactions	48
Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials	48
Perspective: Advances, Challenges, and Insight for Predictive Coarse-Grained Models	45
Temperature-Responsive Peptide–Nucleotide Coacervates	45

Ionic Surfactants at Air/Water and Oil/Water Interfaces: A Comparison Based on Molecular Dynamics Simulations	44
Vibrationally Assisted Direct Intersystem Crossing between the Same Charge-Transfer States for Thermally Activated Delayed Fluorescence: Analysis by Marcus–Hush Theory Including Reorganization Energy	42
Solvation Dynamics of Wet Ethaline: Water is the Magic Component	40
Advances in the Structural Design of Polyelectrolyte Complex Micelles	40
Transferable Ion Force Fields in Water from a Simultaneous Optimization of Ion Solvation and Ion–Ion Interaction	40
Computational Design of 25-mer Peptide Binders of SARS-CoV-2	40
Critical Interactions Between the SARS-CoV-2 Spike Glycoprotein and the Human ACE2 Receptor	40
Mid-Infrared Photothermal Microscopy: Principle, Instrumentation, and Applications	39
Coarse-Graining Organic Semiconductors: The Path to Multiscale Design	39
Shape-Changing Bottlebrush Polymers	38
Structure–Function Properties in Disordered Condensates	38
Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li⁺ Dynamics Based on Molecular Dynamics Simulations	37
Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study	37
Impedance Spectroscopy Dynamics of Biological Neural Elements: From Memristors to Neurons and Synapses	37
Development of Force Field Parameters for the Simulation of Single- and Double-Stranded DNA Molecules and DNA–Protein Complexes	37
Binding of SARS-CoV-2 Fusion Peptide to Host Endosome and Plasma Membrane	37
Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures	37