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 2020-04-01 to 2024-04-01.)

Article	Citations
Biophysical processes underlying cross-seeding in amyloid aggregation and implications in amyloid pathology	101
Visualizing and trapping transient oligomers in amyloid assembly pathways	97
Self-assembly of surfactants: An overview on general aspects of amphiphiles	90
Structures of the intrinsically disordered Aβ, tau and α-synuclein proteins in aqueous solution from computer simulations	85
Therapeutic potential of graphitic carbon nitride as a drug delivery system for cisplatin (anticancer drug): A DFT approach	73
Disorder-to-order transition of the amyloid-β peptide upon lipid binding	58
Reckoning a fungal metabolite, Pyranonigrin A as a potential Main protease (Mpro) inhibitor of novel SARS-CoV-2 virus identified using docking and molecular dynamics simulation	52
Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods	48
The role of surfaces on amyloid formation	46
The role of water in the primary nucleation of protein amyloid aggregation	38
Transient disorder along pathways to amyloid	38
Host-membrane interacting interface of the SARS coronavirus envelope protein: Immense functional potential of C-terminal domain	37
Mechanistic insights of host cell fusion of SARS-CoV-1 and SARS-CoV-2 from atomic resolution structure and membrane dynamics	35
A mechanistic survey of Alzheimer's disease	34
Green synthesis of Fe2O3-Ag nanocomposite using Psidium guajava leaf extract: An eco-friendly and recyclable adsorbent for remediation of Cr(VI) from aqueous media	33
The interplay between Glucocerebrosidase, α-synuclein and lipids in human models of Parkinson’s disease	31
Kinetics theories to understand the mechanism of aggregation of a protein and to design strategies for its inhibition	30
Membrane shape as determinant of protein properties	30
Gallotannins are uncompetitive inhibitors of pancreatic lipase activity	29
Phytochemical profile, antioxidant, α-amylase inhibition, binding interaction and docking studies of Justicia carnea bioactive compounds with α-amylase	29
Coarse-grained MD simulations reveal beta-amyloid fibrils of various sizes bind to interfacial liquid-ordered and liquid-disordered regions in phase separated lipid rafts with diverse membrane-bound c	28
Intrinsically disordered proteins/regions and insight into their biomolecular interactions	28
Thermodynamics of amyloid fibril formation from non-equilibrium experiments of growth and dissociation	27
Allostery, and how to define and measure signal transduction	24
Enzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methods	24

The role of the lipid environment in the activity of G protein coupled receptors	23
Interaction of BSA with ZnO, TiO2, and CeO2 nanoparticles	23
Duplex-tetraplex equilibria in guanine- and cytosine-rich DNA	23
Mutations in conserved functional domains of human RecQ helicases are associated with diseases and cancer: A review	22
Recent trends in analytical and digital techniques for the detection of the SARS-Cov-2	22
Intermediates of α-synuclein aggregation: Implications in Parkinson's disease pathogenesis	22
A lowly populated, transient β-sheet structure in monomeric Aβ1-42 identified by multinuclear NMR of chemical denaturation	21
Herpes simplex virus encoded ICP6 protein forms functional amyloid assemblies with necroptosis-associated host proteins	20
The assessment of three dimensional modelling design for single strand DNA aptamers for computational chemistry application	20
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	19
Modulating Aβ aggregation by tyrosol-based ligands: The crucial role of the catechol moiety	19
Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors	18
Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation	18
The hazardous effects of the environmental toxic gases on amyloid beta-peptide aggregation: A theoretical perspective	18
Intrinsically disordered proteins: Chronology of a discovery	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	17
Amyloid-like aggregation of bovine serum albumin at physiological temperature induced by cross-seeding effect of HEWL amyloid aggregates	17
Effect of tert-alcohol functional imidazolium salts on oligomerization and fibrillization of amyloid β (1–42) peptide	17
Disorder under stress: Role of polyol osmolytes in modulating fibrillation and aggregation of intrinsically disordered proteins	16
Delving deep into the structural aspects of a furin cleavage site inserted into the spike protein of SARS-CoV-2: A structural biophysical perspective	16
Transformation of matter in living organisms during growth and evolution	15
Metabolomics: An emerging potential approach to decipher critical illnesses	15
Exploring the binding kinetics and behaviors of self-aggregated beta-amyloid oligomers to phase-separated lipid rafts with or without ganglioside-clusters	15
Determinants of lipids acyl chain specificity: A tale of two enzymes	15
Exploring the polymorphism, conformational dynamics and function of amyloidogenic peptides and proteins by temperature and pressure modulation	14
β-Turn exchanges in the α-synuclein segment 44-TKEG-47 reveal high sequence fidelity requirements of amyloid fibril elongation	14
Chemical modifications to mRNA nucleobases impact translation elongation and termination	14
Computational modelling of potent β-secretase (BACE1) inhibitors towards Alzheimer's disease treatment	14
Studies on physiochemical modifications on biologically important hydroxyapatite materials and their characterization for medical applications	14
Protein folding in vitro and in the cell: From a solitary journey to a team effort	13
Characterisation of cell membrane interaction mechanisms of antimicrobial peptides by electrical bilayer recording	13
Evidence of cadmium and mercury involvement in the Aβ42 aggregation process	13
Effect of concentration of PEG coated gold nanoparticle on lung surfactant studied with coarse-grained molecular dynamics simulations	13
Multi-start Evolutionary Nonlinear OpTimizeR (MENOTR): A hybrid parameter optimization toolbox	13
Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations	13
Discrete-state stochastic kinetic models for target DNA search by proteins: Theory and experimental applications	13
A novel polymer micelle as a targeted drug delivery system for 10-hydroxycamptothecin with high drug-loading properties and anti-tumor efficacy	12
Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach	12
Inhibitory effects of carbon quantum dots towards hen egg white lysozyme amyloidogenesis through formation of a stable protein complex	12
Avenanthramide-C prevents amyloid formation of bovine serum albumin	12
Comparative study of the interaction of some meso-substituted anionic cyanine dyes with human serum albumin	12
Molecular dynamics simulations reveal the destabilization mechanism of Alzheimer's disease-related tau R3-R4 Protofilament by norepinephrine	12
Conformational ensemble of the full-length SARS-CoV-2 nucleocapsid (N) protein based on molecular simulations and SAXS data	11
A computational evaluation of targeted oxidation strategy (TOS) for potential inhibition of SARS-CoV-2 by disulfiram and analogues	11
The mechanism of action of T-705 as a unique delayed chain terminator on influenza viral polymerase transcription	11
Membrane morphology effects in quartz crystal microbalance characterization of antimicrobial peptide activity	11
An insight into the interaction between α-ketoamide- based inhibitor and coronavirus main protease: A detailed in silico study	11
Probing the interaction of ciprofloxacin and E. coli by electrochemistry, spectroscopy and atomic force microscopy	11
Advancements and future directions in research of the roles of insulin in amyloid diseases	11
Targeting disorders in unstructured and structured proteins in various diseases	11

Silico analysis of interaction between full-length SARS-CoV2 S protein with human Ace2 receptor: Modelling, docking, MD simulation	11
Evidence of the different effect of mercury and cadmium on the hIAPP aggregation process	11
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
Native disulphide-linked dimers facilitate amyloid fibril formation by bovine milk αS2-casein	10
An evidence of pores in phospholipid membrane induced by an antimicrobial peptide NK-2	10
Disordered regions tune order in chromatin organization and function	10
Expression, purification and characterisation of large quantities of recombinant human IAPP for mechanistic studies	10
Differential effect of polyol and sugar osmolytes on the refolding of homologous alpha amylases: A comparative study	10
HIV-1 genomic RNA U3 region forms a stable quadruplex-hairpin structure	10
Mapping protein-protein interactions in homodimeric CYP102A1 by crosslinking and mass spectrometry	9
Influence of the gallate moiety on the interactions between green tea polyphenols and lipid membranes elucidated by molecular dynamics simulations	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
Arbidol targeting influenza virus A Hemagglutinin; A comparative study	9
Ganglioside GM3 stimulates lipid-protein co-assembly in α-synuclein amyloid formation	9
How to best estimate the viscosity of lipid bilayers	9
Triiodothyronine promotes the osteoblast formation by activating autophagy	9
Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2	9
Raman spectral imaging of 13C2H15N-labeled α-synuclein amyloid fibrils in cells	9
A common chemomechanical coupling model for orphan and conventional kinesin molecular motors	9
Dynamic protein structures in normal function and pathologic misfolding in systemic amyloidosis	9
Decrypting the interaction pattern of Piperlongumine with calf thymus DNA and dodecamer d(CGCGAATTCGCG)2 B-DNA: Biophysical and molecular docking analysis	9
Orientation of immobilized antigens on common surfaces by a simple computational model: Exposition of SARS-CoV-2 Spike protein RBD epitopes	9
Molecular dynamics study of water transport through AQP5-R188C mutant causing palmoplantar keratoderma (PPK) using the gating mechanism concept	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
Amino acid-functionalized borospherenes as drug delivery systems	8
Inhibition effect of thiol-type antioxidants on protein oxidative aggregation caused by free radicals	8
Studies of the highly potent lantibiotic peptide nisin Z in aqueous solutions of salts and biological buffer components	8
The complex role of the N-terminus and acidic residues of HdeA as pH-dependent switches in its chaperone function	8
Structural and functional changes of the protein β-lactoglobulin under thermal and electrical processing conditions	8
Dengue fusion peptide in Langmuir monolayers: A binding parameter study	7
Unravelling viral dynamics through molecular dynamics simulations - A brief overview	7
Electroporation, electrochemotherapy and electro-assisted drug delivery in cancer. A state-of-the-art review	7
The thermodynamic and kinetic mechanisms of a Ganoderma lucidum proteoglycan inhibiting hIAPP amyloidosis	7
Chemical stabilization of γ-polyglutamate by chitosan and the effect of co-solvents on the stability	7
Interactions of intrinsically disordered proteins with the unconventional chaperone human serum albumin: From mechanisms of amyloid inhibition to therapeutic opportunities	7
Transformation characteristics of A-DNA in salt solution revealed through molecular dynamics simulations	7
pH dependence of C•A, G•A and A•A mismatches in the stem of precursor microRNA-31	7
Axonal plasma membrane-mediated toxicity of cholesterol in Alzheimer's disease: A microsecond molecular dynamics study	7
Using quantum chemistry to estimate chemical shifts in biomolecules	7
Reconstitution of full-length human caveolin-1 into phospholipid bicelles: Validation by analytical ultracentrifugation	7
Interaction of gentamicin and gentamicin-AOT with poly-(lactide-co-glycolate) in a drug delivery system - density functional theory calculations and molecular dynamics simulation	7
Comparison of the force fields on monomeric and fibrillar PHF6 of tau protein	7
Molecular interaction of an antagonistic amylin analog with the extracellular domain of receptor activity-modifying protein 2 assessed by fluorescence polarization	7
The native state conformational heterogeneity in the energy landscape of protein folding	7
Membrane fusion of phospholipid bilayers under high pressure: Spherical and irreversible growth of giant vesicles	7
Charge transfer across biomembranes: A solution to the conundrum of high desolvation free energy penalty in ion transport	7
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus	7
Viper toxins affect membrane characteristics of human erythrocytes	6
In-cell 31P solid-state NMR measurements of the lipid dynamics and influence of exogeneous β-amyloid peptides on live neuroblastoma neuro-2a cells	6
Binding free energy calculation of human beta defensin 3 with negatively charged lipid bilayer using free energy perturbation method	6
Size and/or charge asymmetry effects in coulombic fluids in the presence of external fields: From simple electrolytes to molten salts	6
SPR detection of protein enhanced by seedless synthesized gold nanorods	6
Marshall's nucleic acid: From double-helical structure to a potent intercalator	6
How procyanidin C1 sticks to collagen: The role of proline rings	6
m7G-DPP: Identifying N7-methylguanosine sites based on dinucleotide physicochemical properties of RNA	6
Caffeine modulates the intercalation of drugs on DNA: A study at the single molecule level	6
Liposomes encapsulating artificial cytosol as drug delivery system	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
A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation	6
Elucidating the binding and inhibitory potential of p-coumaric acid against amyloid fibrillation and their cytotoxicity: Biophysical and docking analysis	6
Modeling of enzymatic activity of free β-glucosidase from palm weevil, Rhynchophorus palmarum Linn. (Coleoptera: Curculionidae) larvae: Effects of pH and temperature	6
Characterizing osmolyte chemical class hierarchies and functional group requirements for thermal stabilization of proteins	6
Infrared spectrochemical findings on intermittent fasting-associated gross molecular modifications in rat myocardium	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
Effects of isovaleraldehyde on cell-sized lipid bilayer vesicles	6
Spectroscopic and photostability study of water-soluble hypericin encapsulated with polyvinylpyrrolidone	6
A biophysical toolset to probe the microscopic processes underlying protein aggregation and its inhibition by molecular chaperones	6