OOIR: Observatory of International Research

Papers

(The TQCC of Biophysical Chemistry is 5. 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 2021-04-01 to 2025-04-01.)

Article	Citations
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus	65
Modulation of global stability, ligand binding and catalytic properties of trypsin by anions	59
Influence of amphotericin B on the DPPC/DOPC/sterols mixed monolayer in the presence of calcium ions	55
Free energy landscape of wrapping of lipid nanocluster by polysaccharides	53
Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme	45
Editorial Board	43
Editorial Board	40
Probing pharmaceutically important amino acids L-isoleucine and L-tyrosine Solubilities: Unraveling the solvation thermodynamics in diverse mixed solvent systems	39
Editorial Board	37
Intrinsic disorder and structural biology: Searching where the light isn't	35
The composition of fusogenic lipid mixtures at the air-water modulates the physicochemical properties changes upon interaction with lysicamine	34
Editorial Board	34
Exploring solubility and energetics: Dissolution of biologically important l-threonine in diverse aqueous organic mixtures across the temperature range of 288.15 K to 308.15 K	28
The food and pharmaceutical additive benzoic acid induces amyloid fibrillation of an intrinsically disordered protein	26
Editorial Board	25
Editorial Board	25
Editorial Board	25
SPR is a fast and straightforward method to estimate the binding constants of cyclic dinucleotides to their binding partners, such as STING or poxin	21
Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach	21
Targeting phenylalanine assemblies as a prospective disease-modifying therapy for phenylketonuria	19
The role of hydrophobic patches of de novo designed MSI-78 and VG16KRKP antimicrobial peptides on fragmenting model bilayer membranes	19
Unveiling the mechanisms underlying photothermal efficiency of gold shell-isolated nanoparticles (AuSHINs) on ductal mammary carcinoma cells (BT-474)	19
Bilirubin: Photophysical and photochemical properties, phototherapy, analytical methods of measurement. A short review	19
Structure and energetics guide dynamic behaviour in a T = 3 icosahedral virus capsid	18
Conformational stability of the deamidated and mutated human βB2-crystallin	17

Isolation of Amyloid-like Protein Aggregates (APA) from white bread and their characterisation	17
Nanoscale intracellular ultrastructures affected by osmotic pressure using small-angle X-ray scattering	17
Dissecting the effect of ALS mutation S375G on the conformational properties and aggregation dynamics of TDP-43370-375 fragment	17
Amyloid-like aggregation of bovine serum albumin at physiological temperature induced by cross-seeding effect of HEWL amyloid aggregates	16
Tunnel connects lipid bilayer to occluded odorant-binding site of insect olfactory receptor	16
Editorial Board	15
Molecular conversion of MIG6 hotspot-3 peptide from the nonbinder to a moderate binder of HER2 by rational design of an orthogonal interaction system at the HER2–peptide interface	15
Studies on stabilization of collagen using Cr-doped polydopamine complex	15
The contrasting roles of co-solvents in protein formulations and food products	15
Membrane-water partitioning – Tackling the challenges of poorly soluble drugs using chaotropic co-solvents	14
Size and/or charge asymmetry effects in coulombic fluids in the presence of external fields: From simple electrolytes to molten salts	13
Molecular dynamics simulations reveal the destabilization mechanism of Alzheimer's disease-related tau R3-R4 Protofilament by norepinephrine	13
Engineered Sphingomonas sp. KT-1 PahZ1 monomers efficiently degrade poly(aspartic acid)	13
CTK7A, a curcumin derivative, can be a potential candidate for targeting HIF-1α/p300 complex: Evidences from in vitro and computational studies	13
Characterization of retinal chromophore and protonated Schiff base in Thermoplasmatales archaeon heliorhodopsin using solid-state NMR spectroscopy	12
Disordered regions tune order in chromatin organization and function	12
Effect of cycloastragenol and punicalagin on Prp(106–126) and Aβ(25–35) oligomerization and fibrillizaton	12
Histone H3 and H4 tails play an important role in nucleosome phase separation	12
Dependence of cell's membrane potential on extracellular voltage observed in Chara globularis	11
Analysis of solid-state NMR data facilitated by MagRO_NMRViewJ with Graph_Robot: Application for membrane protein and amyloid.	11
Biotransformation of phenytoin in the electrochemically-driven CYP2C19 system	11
Luteoloside inhibits Aβ1–42 fibrillogenesis, disintegrates preformed fibrils, and alleviates amyloid-induced cytotoxicity	11
Kinetics of i-motif folding within the duplex context	11
Molecular recognition and interaction between human plasminogen Kringle 5 and voltage-dependent anion channel-1 by biological specificity technologies and molecular dynamic simulation	11
Dimethyl sulfoxide (DMSO) is a stabilizing co-solvent for G-quadruplex DNA	11
Protein–lipid acyl chain interactions: Depth-dependent changes of segmental mobility of phospholipid in contact with bacteriorhodopsin	11
Theoretical investigation of the electronic absorption spectra of the glucosides	11
Bioinformatics analysis and biochemical characterisation of ABC transporter-associated periplasmic substrate-binding proteins ModA and MetQ from Helicobacter pylori strain SS1	11
Critical assessment of popular biomolecular force fields for molecular dynamics simulations of folding and enzymatic activity of main protease of coronavirus SARS-CoV-2	11
Interfacial properties of α-synuclein's Parkinsonian variants	11
Using surfactants as matrix for the matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) of amino acids: Sodium dodecyl sulfate (SDS) and sodium octyl sulfate (S	11
Enhancing amyloid beta inhibition and disintegration by natural compounds: A study utilizing spectroscopy, microscopy and cell biology	10
Coupling of conformation and CPD damage in nucleosomal DNA	10
Myristoylation and its effects on the human Golgi Reassembly and Stacking Protein 55	10
Thermodynamics of oligomerization and Helix-to-sheet structural transition of amyloid β-protein on anionic phospholipid vesicles	10
Equations describing semi-confluent cell growth (I) Analytical approximations	10
Thermodynamics of amyloid fibril formation from non-equilibrium experiments of growth and dissociation	10
HIV-1 genomic RNA U3 region forms a stable quadruplex-hairpin structure	10
Enhancement of the thermal stability of G-quadruplex structures by urea	10
NTPs compete in the active site of RNA polymerases I and II	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
Effects of curcumin in the interaction with cardiolipin-containg lipid monolayers and bilayers	9
Charge within Nt17 peptides modulates huntingtin aggregation and initial lipid binding events	9
The processing intermediate of human amylin, pro-amylin(1–48), has in vivo and in vitro bioactivity	9
Fluorescence microscopic imaging of single desmin intermediate filaments elongated by the presence of divalent cations in vitro	9
ROC-guided virtual screening, molecular dynamics simulation, and bioactivity validation assessment Z195914464 as a 3CL Mpro inhibitor	9
Interactions of intrinsically disordered proteins with the unconventional chaperone human serum albumin: From mechanisms of amyloid inhibition to therapeutic opportunities	9
Differential effects of DTT on HEWL amyloid fibrillation and fibril morphology at different pH	9
Solubilisation & purification of membrane proteins using benzylamine-modified SMA polymers	9
Importance of interface and surface areas in protein-protein binding affinity prediction: A machine learning analysis based on linear regression and artificial neural network	8

Editorial Board	8
Editorial Board	8
Potential allosteric sites captured in glycolytic enzymes via residue-based network models: Phosphofructokinase, glyceraldehyde-3-phosphate dehydrogenase and pyruvate kinase	8
Editorial Board	8
High-resolution heteronuclear correlations between spin-1/2 and half-integer quadrupolar nuclei under fast MAS solid-state NMR	8
Tailoring of hydroxyapatite nanoparticle surfaces of varying morphologies to facilitate counterion diffusion and subsequent protein denaturation	8
Influence of the gallate moiety on the interactions between green tea polyphenols and lipid membranes elucidated by molecular dynamics simulations	8
Dissimilar action of tamoxifen and 4-hydroxytamoxifen on phosphatidylcholine model membranes	8
Nitric oxide modulates NMDA receptor through a negative feedback mechanism and regulates the dynamical behavior of neuronal postsynaptic components	8
How to best estimate the viscosity of lipid bilayers	8
How to evict HP1 from H3: Using a complex salt bridge	8
Membrane shape as determinant of protein properties	8
Editorial Board	8
Amyloids, amorphous aggregates and assemblies of peptides – Assessing aggregation	8
Editorial Board	8
A novel assay for the determination of PreScission protease by capillary electrophoresis	8
In silico investigation on the mutational analysis of BRCA1-BARD1 RING domains and its effect on nucleosome recognition and ubiquitination	8
Targeting hydrophobicity in biofilm-associated protein (Bap) as a novel antibiofilm strategy against Staphylococcus aureus biofilm	8
Editorial	7
Investigation of serotonin-receptor interactions, stability and signal transduction pathways via molecular dynamics simulations	7
Evidence of the different effect of mercury and cadmium on the hIAPP aggregation process	7
Inside of the burst-phase intermediate of a protein folding. Hydration of hydrophobic groups	7
Quantum mechanics in ion channel	7
Homology modelling, molecular dynamics simulation and docking evaluation of β-tubulin of Schistosoma mansoni	7
Editorial Board	7
Molecular dynamics of SARS-CoV-2 omicron variants from Philippine isolates against hesperidin as spike protein inhibitor	7
Reversible and irreversible mitochondrial swelling in vitro	7
Secondary structure propensities of the Ebola delta peptide E40 in solution and model membrane environments	7
Quantification of protein-protein interactions and activation dynamics: A new path to predictive biomarkers	7
A pH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue	7
PolyQ aggregation studied by model peptides with intrinsic tryptophan fluorophores	7
Linking B-factor and temperature-induced conformational transition	7
Probing the energy landscape of the lipid interactions of the serotonin1A receptor	7
Authentic hSAA related with AA amyloidosis: New method of purification, folding and amyloid polymorphism	7
The effect of various compounds on the COVID mechanisms, from chemical to molecular aspects	7
Nonpolar hydrophobic amino acids tune the enzymatic activity of lysozyme	6
Identification of the therapeutic potential of novel TIGIT/PVR interaction blockers based advanced computational techniques and experimental validation	6
An interpretable machine learning method for homo-trimeric protein interface residue-residue interaction prediction	6
Phase behaviour and adsorption of deoxyribonucleic acid onto an azobenzene liquid crystalline ligand at the interfaces	6
TPE conjugated islet amyloid polypeptide probe for detection of peptide oligomers	6
Supramolecular arrangements in human amyloid tissues using SAXS	6
A theoretical study on the effects of interdomain flexibility on drug encounter rate for coronavirus nucleocapsid-type proteins	6
Spectroscopy studies of interaction hypericin with an anti-cancer therapy drug doxorubicin	6
Structural aspects of the MHC expression control system	6
Secondary structure of peptides mimicking the Gly-rich regions of major ampullate spidroin protein 1 and 2	6
Metal-binding and folding thermodynamics of Escherichia coli ribonuclease HI related to its catalytic function	6
Mutations in asparaginase II from E. coli and implications for inactivation and PEGylation	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
Analysis of the effect of 1-Allyl-3-Methylimidazolium chloride on thermodynamic stability, folding kinetics, and motional dynamics of horse cytochrome c	6
Advancements and future directions in research of the roles of insulin in amyloid diseases	6
Exploring the solubility and intermolecular interactions of biologically significant amino acids l-serine and L-cysteine in binary mixtures of H2O + DMF, H2O + DMSO and H2O + ACN in temperature range	6
Selective IR super-resolution imaging of β-keratins at the bulk or interface in feather detected by using a nonlinear optical process	6
Inhibition mechanism of human insulin fibrillation by Bodipy carbon polymer dots and photothermal defibrillation effect of Bodipy carbon polymer dots modified by ThT	6
Dietary polyphenols inhibit plasma protein arabinosylation: Biomolecular interaction of genistein and ellagic acid with serum albumins	6
Non-micellar ganglioside GM1 induces an instantaneous conformational change in Aβ42 leading to the modulation of the peptide amyloid-fibril pathway	5
Dynamic interaction network involving the conserved intrinsically disordered regions in human eIF5	5
Chemical stabilization of γ-polyglutamate by chitosan and the effect of co-solvents on the stability	5
The structural reconformation of peptides in enhancing functional and therapeutic properties: Insights into their solid state crystallizations	5
Phenolic fractions of Heliotropium bacciferum inhibit human insulin aggregation and protect against amyloid-induced cytotoxicity: Structural and biophysical analysis	5
Bridging in silico and in vitro perspectives to unravel molecular mechanisms underlying the inhibition of β-glucuronidase by coumarins from Hibiscus trionum	5
Multispectral analysis and molecular docking of a zinc (II) complex interaction with bovine serum albumin and studies on antibacterial properties, and catecholase mimicry of the complex	5
Protein vibrations and their localization behaviour. A numerical scaling analysis	5
Dynamic properties of the layers of cupin-1.1 aggregates at the air/water interface	5
Neuroinflammation induced by amyloid-forming pancreatic amylin: Rationale for a mechanistic hypothesis	5
Coupling mechanisms in ATP synthesis: Rejoinder to “Response to molecular-level understanding of biological energy coupling and transduction”	5
Effect of partial O-methylation in dehydrodieugenol on its antitrypanosomal activity - correlation with the toxicity using cell membrane models	5
On the importance of being amidated: Analysis of the role of the conserved C-terminal amide of amylin in amyloid formation and cytotoxicity	5
The role of the lipid environment in the activity of G protein coupled receptors	5
Met58 and di-acidic motif located at C-terminal region of SARS-CoV-2 ORF6 plays a crucial role in its structural conformations	5
Intrinsically disordered proteins/regions and insight into their biomolecular interactions	5
Identification of determinants of lipid and ion transport in TMEM16/anoctamin proteins through a Bayesian statistical analysis	5
Richer than previously probed: An application of 1H NMR reveals one hundred metabolites using only fifty microliter serum	5
Interaction of the tau fibrils with the neuronal membrane	5
Conformational analysis of membrane-proximal segments of GDAP1 in a lipidic environment using synchrotron radiation suggests a mode of assembly at the mitochondrial outer membrane	5
Ca2+ binding shifts dimeric dual oxidase's truncated EF-hand domain to monomer	5
Advanced applications of Nanodiscs-based platforms for antibodies discovery	5
Characterization of PARP1 binding to c-KIT1 G-quadruplex DNA: Insights into domain-specific interactions	5
Trp residues near peptide termini enhance the membranolytic activity of cationic amphipathic α-helices	5
Interaction of esomeprazole with insulin detemir and human albumin: A potential cause of hypoglycemia	5
Amyloid-Driven Allostery	5