OOIR: Observatory of International Research

Papers

(The TQCC of Biophysical Chemistry is 6. 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 2020-10-01 to 2024-10-01.)

Article	Citations
Self-assembly of surfactants: An overview on general aspects of amphiphiles	125
Biophysical processes underlying cross-seeding in amyloid aggregation and implications in amyloid pathology	112
Visualizing and trapping transient oligomers in amyloid assembly pathways	104
Therapeutic potential of graphitic carbon nitride as a drug delivery system for cisplatin (anticancer drug): A DFT approach	89
Disorder-to-order transition of the amyloid-β peptide upon lipid binding	61
The role of surfaces on amyloid formation	60
Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods	50
The role of water in the primary nucleation of protein amyloid aggregation	48
A mechanistic survey of Alzheimer's disease	41
Enzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methods	40
Transient disorder along pathways to amyloid	39
Host-membrane interacting interface of the SARS coronavirus envelope protein: Immense functional potential of C-terminal domain	39
Intrinsically disordered proteins/regions and insight into their biomolecular interactions	36
Kinetics theories to understand the mechanism of aggregation of a protein and to design strategies for its inhibition	35
Mechanistic insights of host cell fusion of SARS-CoV-1 and SARS-CoV-2 from atomic resolution structure and membrane dynamics	35
The interplay between Glucocerebrosidase, α-synuclein and lipids in human models of Parkinson’s disease	34
Allostery, and how to define and measure signal transduction	31
Phytochemical profile, antioxidant, α-amylase inhibition, binding interaction and docking studies of Justicia carnea bioactive compounds with α-amylase	31
The role of the lipid environment in the activity of G protein coupled receptors	30
Membrane shape as determinant of protein properties	30
Intermediates of α-synuclein aggregation: Implications in Parkinson's disease pathogenesis	29
Thermodynamics of amyloid fibril formation from non-equilibrium experiments of growth and dissociation	27
Interaction of BSA with ZnO, TiO2, and CeO2 nanoparticles	27
Recent trends in analytical and digital techniques for the detection of the SARS-Cov-2	25
Mutations in conserved functional domains of human RecQ helicases are associated with diseases and cancer: A review	24

The assessment of three dimensional modelling design for single strand DNA aptamers for computational chemistry application	24
Duplex-tetraplex equilibria in guanine- and cytosine-rich DNA	23
Intrinsically disordered proteins: Chronology of a discovery	23
Amyloid-like aggregation of bovine serum albumin at physiological temperature induced by cross-seeding effect of HEWL amyloid aggregates	22
Herpes simplex virus encoded ICP6 protein forms functional amyloid assemblies with necroptosis-associated host proteins	22
A lowly populated, transient β-sheet structure in monomeric Aβ1-42 identified by multinuclear NMR of chemical denaturation	22
Anti-obesity, antioxidant and in silico evaluation of Justicia carnea bioactive compounds as potential inhibitors of an enzyme linked with obesity: Insights from kinetics, semi-empirical quantum mecha	21
Multi-start Evolutionary Nonlinear OpTimizeR (MENOTR): A hybrid parameter optimization toolbox	21
Modulating Aβ aggregation by tyrosol-based ligands: The crucial role of the catechol moiety	20
Chemical modifications to mRNA nucleobases impact translation elongation and termination	20
Metabolomics: An emerging potential approach to decipher critical illnesses	20
Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation	20
Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors	19
Conformational ensemble of the full-length SARS-CoV-2 nucleocapsid (N) protein based on molecular simulations and SAXS data	18
Studies on physiochemical modifications on biologically important hydroxyapatite materials and their characterization for medical applications	18
Effect of tert-alcohol functional imidazolium salts on oligomerization and fibrillization of amyloid β (1–42) peptide	18
1,2,4 triazolo[1,5-a] pyrimidin-7-ones as novel SARS-CoV-2 Main protease inhibitors: In silico screening and molecular dynamics simulation of potential COVID-19 drug candidates	18
Exploring the binding kinetics and behaviors of self-aggregated beta-amyloid oligomers to phase-separated lipid rafts with or without ganglioside-clusters	17
Discrete-state stochastic kinetic models for target DNA search by proteins: Theory and experimental applications	17
Exploring the polymorphism, conformational dynamics and function of amyloidogenic peptides and proteins by temperature and pressure modulation	17
Evidence of cadmium and mercury involvement in the Aβ42 aggregation process	16
Inhibitory effects of carbon quantum dots towards hen egg white lysozyme amyloidogenesis through formation of a stable protein complex	16
Native disulphide-linked dimers facilitate amyloid fibril formation by bovine milk αS2-casein	16
Characterisation of cell membrane interaction mechanisms of antimicrobial peptides by electrical bilayer recording	16
Determinants of lipids acyl chain specificity: A tale of two enzymes	15
Computational modelling of potent β-secretase (BACE1) inhibitors towards Alzheimer's disease treatment	15
Protein folding in vitro and in the cell: From a solitary journey to a team effort	15
Transformation of matter in living organisms during growth and evolution	15
β-Turn exchanges in the α-synuclein segment 44-TKEG-47 reveal high sequence fidelity requirements of amyloid fibril elongation	15
Effect of concentration of PEG coated gold nanoparticle on lung surfactant studied with coarse-grained molecular dynamics simulations	14
Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations	14
A novel polymer micelle as a targeted drug delivery system for 10-hydroxycamptothecin with high drug-loading properties and anti-tumor efficacy	13
Disordered regions tune order in chromatin organization and function	13
Influence of the gallate moiety on the interactions between green tea polyphenols and lipid membranes elucidated by molecular dynamics simulations	13
Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach	13
Targeting disorders in unstructured and structured proteins in various diseases	13
Molecular dynamics simulations reveal the destabilization mechanism of Alzheimer's disease-related tau R3-R4 Protofilament by norepinephrine	13
How to best estimate the viscosity of lipid bilayers	13
Advancements and future directions in research of the roles of insulin in amyloid diseases	12
Differential effect of polyol and sugar osmolytes on the refolding of homologous alpha amylases: A comparative study	12
HIV-1 genomic RNA U3 region forms a stable quadruplex-hairpin structure	12
An insight into the interaction between α-ketoamide- based inhibitor and coronavirus main protease: A detailed in silico study	12
The mechanism of action of T-705 as a unique delayed chain terminator on influenza viral polymerase transcription	12
Probing the interaction of ciprofloxacin and E. coli by electrochemistry, spectroscopy and atomic force microscopy	12
Expression, purification and characterisation of large quantities of recombinant human IAPP for mechanistic studies	11
Orientation of immobilized antigens on common surfaces by a simple computational model: Exposition of SARS-CoV-2 Spike protein RBD epitopes	11
Evidence of the different effect of mercury and cadmium on the hIAPP aggregation process	11
Matairesinol, an active constituent of HC9 polyherbal formulation, exhibits HDAC8 inhibitory and anticancer activity	11
Silico analysis of interaction between full-length SARS-CoV2 S protein with human Ace2 receptor: Modelling, docking, MD simulation	11
Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2	11

pH dependence of C•A, G•A and A•A mismatches in the stem of precursor microRNA-31	11
A computational evaluation of targeted oxidation strategy (TOS) for potential inhibition of SARS-CoV-2 by disulfiram and analogues	11
Effects of antimicrobial peptides on membrane dynamics: A comparison of fluorescence and NMR experiments	11
Structural and functional changes of the protein β-lactoglobulin under thermal and electrical processing conditions	10
Mechanistic and biophysical insight into the inhibitory and disaggregase role of antibiotic moxifloxacin on human lysozyme amyloid formation	10
Infrared spectrochemical findings on intermittent fasting-associated gross molecular modifications in rat myocardium	10
Interaction of gentamicin and gentamicin-AOT with poly-(lactide-co-glycolate) in a drug delivery system - density functional theory calculations and molecular dynamics simulation	10
The native state conformational heterogeneity in the energy landscape of protein folding	10
Structural modeling, energetic analysis and molecular design of a π-stacking system at the complex interface of pediatric respiratory syncytial virus nucleocapsid with the C-terminal peptide of phosph	10
Raman spectral imaging of 13C2H15N-labeled α-synuclein amyloid fibrils in cells	10
Triiodothyronine promotes the osteoblast formation by activating autophagy	10
Arbidol targeting influenza virus A Hemagglutinin; A comparative study	10
An evidence of pores in phospholipid membrane induced by an antimicrobial peptide NK-2	10
Dynamic protein structures in normal function and pathologic misfolding in systemic amyloidosis	9
Studies of the highly potent lantibiotic peptide nisin Z in aqueous solutions of salts and biological buffer components	9
Binding free energy calculation of human beta defensin 3 with negatively charged lipid bilayer using free energy perturbation method	9
Decrypting the interaction pattern of Piperlongumine with calf thymus DNA and dodecamer d(CGCGAATTCGCG)2 B-DNA: Biophysical and molecular docking analysis	9
A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation	9
Assessing the DNA structural integrity via selective annihilation of Watson-Crick hydrogen bonds: Insights from molecular dynamics simulations	9
Electroporation, electrochemotherapy and electro-assisted drug delivery in cancer. A state-of-the-art review	9
Liposomes encapsulating artificial cytosol as drug delivery system	9
Ganglioside GM3 stimulates lipid-protein co-assembly in α-synuclein amyloid formation	9
Mapping protein-protein interactions in homodimeric CYP102A1 by crosslinking and mass spectrometry	9
Molecular dynamics study of water transport through AQP5-R188C mutant causing palmoplantar keratoderma (PPK) using the gating mechanism concept	9
Stabilization of a potential anticancer thiosemicarbazone derivative in Sudlow site I of human serum albumin: In vitro spectroscopy coupled with molecular dynamics simulation	9
A comparative study of the binding modes of SLC-0111 and its analogues in the hCA II and hCA IX active sites using QM/MM, molecular docking, MM-GBSA and MD approaches	9
Elucidating the binding and inhibitory potential of p-coumaric acid against amyloid fibrillation and their cytotoxicity: Biophysical and docking analysis	8
Marshall's nucleic acid: From double-helical structure to a potent intercalator	8
Caffeine modulates the intercalation of drugs on DNA: A study at the single molecule level	8
A pH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue	8
Dengue fusion peptide in Langmuir monolayers: A binding parameter study	8
Effects of isovaleraldehyde on cell-sized lipid bilayer vesicles	8
Using quantum chemistry to estimate chemical shifts in biomolecules	8
The influence of N-alkyl chains in benzoyl-thiourea derivatives on urease inhibition: Soil studies and biophysical and theoretical investigations on the mechanism of interaction	8
Interactions of intrinsically disordered proteins with the unconventional chaperone human serum albumin: From mechanisms of amyloid inhibition to therapeutic opportunities	8
Molecular interaction of an antagonistic amylin analog with the extracellular domain of receptor activity-modifying protein 2 assessed by fluorescence polarization	8
A bactericide peptide changing the static and dilatational surface elasticity properties of zwitterionic lipids at the air-water interface: Relationship with the thermodynamic, structural and morpholo	8
Membrane fusion of phospholipid bilayers under high pressure: Spherical and irreversible growth of giant vesicles	8
Chemical stabilization of γ-polyglutamate by chitosan and the effect of co-solvents on the stability	8
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus	8
Unravelling viral dynamics through molecular dynamics simulations - A brief overview	7
A deep learning framework for enhancer prediction using word embedding and sequence generation	7
Charge transfer across biomembranes: A solution to the conundrum of high desolvation free energy penalty in ion transport	7
Size and/or charge asymmetry effects in coulombic fluids in the presence of external fields: From simple electrolytes to molten salts	7
Interaction of negatively and positively capped gold nanoparticle with different lipid model membranes	7
Transformation characteristics of A-DNA in salt solution revealed through molecular dynamics simulations	7
Discovery of TGFBR1 (ALK5) as a potential drug target of quercetin glycoside derivatives (QGDs) by reverse molecular docking and molecular dynamics simulation	7
In-cell 31P solid-state NMR measurements of the lipid dynamics and influence of exogeneous β-amyloid peptides on live neuroblastoma neuro-2a cells	7
Comparison of the force fields on monomeric and fibrillar PHF6 of tau protein	7
Axonal plasma membrane-mediated toxicity of cholesterol in Alzheimer's disease: A microsecond molecular dynamics study	7
The thermodynamic and kinetic mechanisms of a Ganoderma lucidum proteoglycan inhibiting hIAPP amyloidosis	7
Reversible and irreversible mitochondrial swelling in vitro	7
Biotransformation of phenytoin in the electrochemically-driven CYP2C19 system	6
Characterization of retinal chromophore and protonated Schiff base in Thermoplasmatales archaeon heliorhodopsin using solid-state NMR spectroscopy	6
Polylysine effect on thylakoid membranes	6
Structural factors governing binding of curvature-sensing peptides to bacterial extracellular vesicles covered with hydrophilic polysaccharide chains	6
Modeling of enzymatic activity of free β-glucosidase from palm weevil, Rhynchophorus palmarum Linn. (Coleoptera: Curculionidae) larvae: Effects of pH and temperature	6
Biocementation of soils of different surface chemistries via enzyme induced carbonate precipitation (EICP): An integrated laboratory and molecular dynamics study	6
Viper toxins affect membrane characteristics of human erythrocytes	6
Interactions between hydroxyapatite and cholesterol associated with calcification in age-related macular degeneration	6
Coupling mechanisms in ATP synthesis: Rejoinder to “Response to molecular-level understanding of biological energy coupling and transduction”	6
Membrane-water partitioning – Tackling the challenges of poorly soluble drugs using chaotropic co-solvents	6
Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme	6
Recent advances in the modulation of amyloid protein aggregation using the supramolecular host-guest approaches	6
Lipid domain boundary triggers membrane damage and protein folding of human islet amyloid polypeptide in the early pathogenesis of amyloid diseases	6
Spectroscopic and photostability study of water-soluble hypericin encapsulated with polyvinylpyrrolidone	6
m7G-DPP: Identifying N7-methylguanosine sites based on dinucleotide physicochemical properties of RNA	6
Transient protonic capacitor: Explaining the bacteriorhodopsin membrane experiment of Heberle et al. 1994	6
The effect of various compounds on the COVID mechanisms, from chemical to molecular aspects	6
Potential allosteric sites captured in glycolytic enzymes via residue-based network models: Phosphofructokinase, glyceraldehyde-3-phosphate dehydrogenase and pyruvate kinase	6
Tunnel connects lipid bilayer to occluded odorant-binding site of insect olfactory receptor	6
The role of hydrophobic patches of de novo designed MSI-78 and VG16KRKP antimicrobial peptides on fragmenting model bilayer membranes	6
SPR detection of protein enhanced by seedless synthesized gold nanorods	6
How procyanidin C1 sticks to collagen: The role of proline rings	6
Kinetic and thermodynamic insights into the interaction of Aβ1–42 with astaxanthin and aggregation behavior of Aβ1–42: Surface plasmon resonance, microscopic, and molecular docking studies	6
A biophysical toolset to probe the microscopic processes underlying protein aggregation and its inhibition by molecular chaperones	6
A common ATP-dependent stepping model for kinesin-5 and kinesin-1: Mechanism of bi-directionality of kinesin-5	6
Free energy simulations to understand the effect of Met → Ala mutations at positions 205, 206 and 213 on stability of human prion protein	6
Importance of interface and surface areas in protein-protein binding affinity prediction: A machine learning analysis based on linear regression and artificial neural network	6