Biophysical Chemistry

Article	Citations
Fluorescence microscopic imaging of single desmin intermediate filaments elongated by the presence of divalent cations in vitro	112
Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus	61
Modulation of global stability, ligand binding and catalytic properties of trypsin by anions	60
Tunnel connects lipid bilayer to occluded odorant-binding site of insect olfactory receptor	53
Influence of amphotericin B on the DPPC/DOPC/sterols mixed monolayer in the presence of calcium ions	52
Molecular recognition and interaction between human plasminogen Kringle 5 and voltage-dependent anion channel-1 by biological specificity technologies and molecular dynamic simulation	48
Theoretical investigation of the electronic absorption spectra of the glucosides	42
Free energy landscape of wrapping of lipid nanocluster by polysaccharides	41
Interfacial properties of α-synuclein's Parkinsonian variants	40
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	35
Editorial Board	34
Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme	31
Enhancement of the thermal stability of G-quadruplex structures by urea	31
Unveiling the mechanisms underlying photothermal efficiency of gold shell-isolated nanoparticles (AuSHINs) on ductal mammary carcinoma cells (BT-474)	30
Effects of curcumin in the interaction with cardiolipin-containg lipid monolayers and bilayers	30
Editorial Board	29
Isolation of Amyloid-like Protein Aggregates (APA) from white bread and their characterisation	27
Dimethyl sulfoxide (DMSO) is a stabilizing co-solvent for G-quadruplex DNA	25
Editorial Board	23
Probing pharmaceutically important amino acids L-isoleucine and L-tyrosine Solubilities: Unraveling the solvation thermodynamics in diverse mixed solvent systems	22
Biotransformation of phenytoin in the electrochemically-driven CYP2C19 system	22
Protein–lipid acyl chain interactions: Depth-dependent changes of segmental mobility of phospholipid in contact with bacteriorhodopsin	22
Editorial Board	22
The composition of fusogenic lipid mixtures at the air-water modulates the physicochemical properties changes upon interaction with lysicamine	21
Intrinsic disorder and structural biology: Searching where the light isn't	21

Differential effects of DTT on HEWL amyloid fibrillation and fibril morphology at different pH	20
Editorial Board	20
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	18
The food and pharmaceutical additive benzoic acid induces amyloid fibrillation of an intrinsically disordered protein	18
Editorial Board	17
Editorial Board	16
The processing intermediate of human amylin, pro-amylin(1–48), has in vivo and in vitro bioactivity	16
Editorial Board	16
Amyloids, amorphous aggregates and assemblies of peptides – Assessing aggregation	15
β-Turn exchanges in the α-synuclein segment 44-TKEG-47 reveal high sequence fidelity requirements of amyloid fibril elongation	15
Elastic compliance and adsorption profiles of Bovine serum albumin at fluid/solid interface in the presence of electrolytes	15
Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach	15
Enhancing amyloid beta inhibition and disintegration by natural compounds: A study utilizing spectroscopy, microscopy and cell biology	14
Influence of the gallate moiety on the interactions between green tea polyphenols and lipid membranes elucidated by molecular dynamics simulations	13
Structure and energetics guide dynamic behaviour in a T = 3 icosahedral virus capsid	13
Conformational stability of the deamidated and mutated human βB2-crystallin	13
Targeting phenylalanine assemblies as a prospective disease-modifying therapy for phenylketonuria	13
Studies on stabilization of collagen using Cr-doped polydopamine complex	13
Phytochemical profile, antioxidant, α-amylase inhibition, binding interaction and docking studies of Justicia carnea bioactive compounds with α-amylase	13
Luteoloside inhibits Aβ1–42 fibrillogenesis, disintegrates preformed fibrils, and alleviates amyloid-induced cytotoxicity	13
Nanoscale intracellular ultrastructures affected by osmotic pressure using small-angle X-ray scattering	13
Charge within Nt17 peptides modulates huntingtin aggregation and initial lipid binding events	13
Membrane shape as determinant of protein properties	12
Myristoylation and its effects on the human Golgi Reassembly and Stacking Protein 55	12
Importance of interface and surface areas in protein-protein binding affinity prediction: A machine learning analysis based on linear regression and artificial neural network	12
Dissecting the effect of ALS mutation S375G on the conformational properties and aggregation dynamics of TDP-43370-375 fragment	12
Computational modelling of potent β-secretase (BACE1) inhibitors towards Alzheimer's disease treatment	12
Size and/or charge asymmetry effects in coulombic fluids in the presence of external fields: From simple electrolytes to molten salts	12
Amyloid-like aggregation of bovine serum albumin at physiological temperature induced by cross-seeding effect of HEWL amyloid aggregates	11
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	11
Bioinformatics analysis and biochemical characterisation of ABC transporter-associated periplasmic substrate-binding proteins ModA and MetQ from Helicobacter pylori strain SS1	11
In silico investigation on the mutational analysis of BRCA1-BARD1 RING domains and its effect on nucleosome recognition and ubiquitination	11
The contrasting roles of co-solvents in protein formulations and food products	11
Molecular dynamics simulations reveal the destabilization mechanism of Alzheimer's disease-related tau R3-R4 Protofilament by norepinephrine	10
How to best estimate the viscosity of lipid bilayers	10
CTK7A, a curcumin derivative, can be a potential candidate for targeting HIF-1α/p300 complex: Evidences from in vitro and computational studies	10
Equations describing semi-confluent cell growth (I) Analytical approximations	10
Histone H3 and H4 tails play an important role in nucleosome phase separation	10
Coupling of conformation and CPD damage in nucleosomal DNA	10
HIV-1 genomic RNA U3 region forms a stable quadruplex-hairpin structure	10
Thermodynamics of oligomerization and Helix-to-sheet structural transition of amyloid β-protein on anionic phospholipid vesicles	10
Engineered Sphingomonas sp. KT-1 PahZ1 monomers efficiently degrade poly(aspartic acid)	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	9
Effect of cycloastragenol and punicalagin on Prp(106–126) and Aβ(25–35) oligomerization and fibrillizaton	9
Disordered regions tune order in chromatin organization and function	9
Membrane-water partitioning – Tackling the challenges of poorly soluble drugs using chaotropic co-solvents	9
The role of hydrophobic patches of de novo designed MSI-78 and VG16KRKP antimicrobial peptides on fragmenting model bilayer membranes	9
Biophysical processes underlying cross-seeding in amyloid aggregation and implications in amyloid pathology	9
Interactions of intrinsically disordered proteins with the unconventional chaperone human serum albumin: From mechanisms of amyloid inhibition to therapeutic opportunities	9
Modulation of membrane physical properties by natural insecticidal ketones	9

Herpes simplex virus encoded ICP6 protein forms functional amyloid assemblies with necroptosis-associated host proteins	9
NTPs compete in the active site of RNA polymerases I and II	9
Characterization of retinal chromophore and protonated Schiff base in Thermoplasmatales archaeon heliorhodopsin using solid-state NMR spectroscopy	9
High-resolution heteronuclear correlations between spin-1/2 and half-integer quadrupolar nuclei under fast MAS solid-state NMR	9
Critical assessment of popular biomolecular force fields for molecular dynamics simulations of folding and enzymatic activity of main protease of coronavirus SARS-CoV-2	9
Probing the energy landscape of the lipid interactions of the serotonin1A receptor	8
Advancements and future directions in research of the roles of insulin in amyloid diseases	8
Thermodynamics of amyloid fibril formation from non-equilibrium experiments of growth and dissociation	8
Kinetics of i-motif folding within the duplex context	8
Bridging in silico and in vitro perspectives to unravel molecular mechanisms underlying the inhibition of β-glucuronidase by coumarins from Hibiscus trionum	8
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	8
Dependence of cell's membrane potential on extracellular voltage observed in Chara globularis	8
ROC-guided virtual screening, molecular dynamics simulation, and bioactivity validation assessment Z195914464 as a 3CL Mpro inhibitor	8
An interpretable machine learning method for homo-trimeric protein interface residue-residue interaction prediction	8
Solubilisation & purification of membrane proteins using benzylamine-modified SMA polymers	8
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	7
Quantum mechanics in ion channel	7
Interaction of the tau fibrils with the neuronal membrane	7
Phase behaviour and adsorption of deoxyribonucleic acid onto an azobenzene liquid crystalline ligand at the interfaces	7
Nitric oxide modulates NMDA receptor through a negative feedback mechanism and regulates the dynamical behavior of neuronal postsynaptic components	7
How to evict HP1 from H3: Using a complex salt bridge	7
Advanced applications of Nanodiscs-based platforms for antibodies discovery	7
Tailoring of hydroxyapatite nanoparticle surfaces of varying morphologies to facilitate counterion diffusion and subsequent protein denaturation	7
Inhibition mechanism of human insulin fibrillation by Bodipy carbon polymer dots and photothermal defibrillation effect of Bodipy carbon polymer dots modified by ThT	7
Probing the interactions between amyloidogenic proteins and bio-membranes	7
Potential allosteric sites captured in glycolytic enzymes via residue-based network models: Phosphofructokinase, glyceraldehyde-3-phosphate dehydrogenase and pyruvate kinase	7
Authentic hSAA related with AA amyloidosis: New method of purification, folding and amyloid polymorphism	7
Editorial Board	7
Metal-binding and folding thermodynamics of Escherichia coli ribonuclease HI related to its catalytic function	6
Selective IR super-resolution imaging of β-keratins at the bulk or interface in feather detected by using a nonlinear optical process	6
Protein vibrations and their localization behaviour. A numerical scaling analysis	6
Synthesis and in vitro quantification of amyloid fibrils by barbituric and thiobarbituric acid-based chromene derivatives	6
Quantification of protein-protein interactions and activation dynamics: A new path to predictive biomarkers	6
Spectroscopy studies of interaction hypericin with an anti-cancer therapy drug doxorubicin	6
Targeting hydrophobicity in biofilm-associated protein (Bap) as a novel antibiofilm strategy against Staphylococcus aureus biofilm	6
Editorial Board	6
Dissimilar action of tamoxifen and 4-hydroxytamoxifen on phosphatidylcholine model membranes	6
Editorial Board	6
Ganglioside GM3 stimulates lipid-protein co-assembly in α-synuclein amyloid formation	6
Editorial Board	6
PolyQ aggregation studied by model peptides with intrinsic tryptophan fluorophores	6
The role of the lipid environment in the activity of G protein coupled receptors	6
Evidence of the different effect of mercury and cadmium on the hIAPP aggregation process	6
Interaction of esomeprazole with insulin detemir and human albumin: A potential cause of hypoglycemia	6
Coupling mechanisms in ATP synthesis: Rejoinder to “Response to molecular-level understanding of biological energy coupling and transduction”	6
TPE conjugated islet amyloid polypeptide probe for detection of peptide oligomers	6
Studies on the binding of wedelolactone to human serum albumin with multi-spectroscopic analysis, molecular docking and molecular dynamic simulation	6
Editorial Board	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
Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations	6
Dynamic interaction network involving the conserved intrinsically disordered regions in human eIF5	6
A novel assay for the determination of PreScission protease by capillary electrophoresis	6
Secondary structure of peptides mimicking the Gly-rich regions of major ampullate spidroin protein 1 and 2	6
Editorial Board	6
Identification of determinants of lipid and ion transport in TMEM16/anoctamin proteins through a Bayesian statistical analysis	5
Non-micellar ganglioside GM1 induces an instantaneous conformational change in Aβ42 leading to the modulation of the peptide amyloid-fibril pathway	5
Dietary polyphenols inhibit plasma protein arabinosylation: Biomolecular interaction of genistein and ellagic acid with serum albumins	5
Recent trends in analytical and digital techniques for the detection of the SARS-Cov-2	5
Editorial	5
The effect of various compounds on the COVID mechanisms, from chemical to molecular aspects	5
Reversible and irreversible mitochondrial swelling in vitro	5
Inside of the burst-phase intermediate of a protein folding. Hydration of hydrophobic groups	5
Neuroinflammation induced by amyloid-forming pancreatic amylin: Rationale for a mechanistic hypothesis	5
Native disulphide-linked dimers facilitate amyloid fibril formation by bovine milk αS2-casein	5
Dynamic properties of the layers of cupin-1.1 aggregates at the air/water interface	5
Richer than previously probed: An application of 1H NMR reveals one hundred metabolites using only fifty microliter serum	5
Linking B-factor and temperature-induced conformational transition	5
Chemical stabilization of γ-polyglutamate by chitosan and the effect of co-solvents on the stability	5
Nonpolar hydrophobic amino acids tune the enzymatic activity of lysozyme	5
A theoretical study on the effects of interdomain flexibility on drug encounter rate for coronavirus nucleocapsid-type proteins	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
Analysis of the effect of 1-Allyl-3-Methylimidazolium chloride on thermodynamic stability, folding kinetics, and motional dynamics of horse cytochrome c	5
Amyloid-Driven Allostery	5
Characterization of PARP1 binding to c-KIT1 G-quadruplex DNA: Insights into domain-specific interactions	5
Ca2+ binding shifts dimeric dual oxidase's truncated EF-hand domain to monomer	5
A large HIV gp41 construct with trimer-of-hairpins structure exhibits V2E mutation-dominant attenuation of vesicle fusion and helicity very similar to V2E attenuation of HIV fusion and infection and s	4
Editorial Board	4
Differential effect of polyol and sugar osmolytes on the refolding of homologous alpha amylases: A comparative study	4
A pH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue	4
Supramolecular arrangements in human amyloid tissues using SAXS	4

Effects of free soluble iron on thermal aggregation of hemoglobin	4
Mutations in asparaginase II from E. coli and implications for inactivation and PEGylation	4
Designing surface exposed sites on Bacillus subtilis lipase A for spin-labeling and hydration studies	4
Citrullination of adenosine deaminase impairs its binding to dipeptidyl peptidase IV	4
Analyzing of L-tryptophan thermodynamics and its solubility in aqueous acetonitrile blends at diverse temperatures	4
Editorial Board	4
The thermodynamic and kinetic mechanisms of a Ganoderma lucidum proteoglycan inhibiting hIAPP amyloidosis	4
Homology modelling, molecular dynamics simulation and docking evaluation of β-tubulin of Schistosoma mansoni	4
The structural reconformation of peptides in enhancing functional and therapeutic properties: Insights into their solid state crystallizations	4
Arbidol targeting influenza virus A Hemagglutinin; A comparative study	4
Cholesterol and melatonin regulated membrane fluidity does not affect the membrane breakage triggered by amyloid-beta peptide	4
Islet amyloid polypeptide tagged with green fluorescent protein localises to mitochondria and forms filamentous aggregates in Caenorhabditis elegans	4
Inside and outside of virus-like particles HBc and HBc/4M2e: A comprehensive study of the structure	4
Structure and interaction roles in the release profile of chalcone-loaded liposomes	4
Effect of mono- and diketone group in curcumin analogues on amyloid fibrillation of hen egg white lysozyme	4
Effect of partial O-methylation in dehydrodieugenol on its antitrypanosomal activity - correlation with the toxicity using cell membrane models	4
Intrinsically disordered proteins/regions and insight into their biomolecular interactions	4
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	4
Secondary structure propensities of the Ebola delta peptide E40 in solution and model membrane environments	4
Structural aspects of the MHC expression control system	4
Quantifying the impact of initial RNA primer length on nucleotide addition by RNA polymerase I	4
Computational pharmacology: New avenues for COVID-19 therapeutics search and better preparedness for future pandemic crises	3
Structural dynamics of a DNA-binding protein analyzed using diffracted X-ray tracking	3
Enzyme free energy profiles: Can substrate binding be nonspontaneous? Can ground state interactions enhance catalysis?	3
Atomic insights into the inhibition of R3 domain of tau protein by epigallocatechin gallate, quercetin and gallic acid	3
Structural and functional evaluation mammalian and plant lipoxygenases upon association with nanodics as membrane mimetics	3
Exploring the synergistic effects of amoxicillin and methylene blue on unsaturated lipid structures: A study of Langmuir monolayers and giant unilamellar vesicles	3
Raman spectral imaging of 13C2H15N-labeled α-synuclein amyloid fibrils in cells	3
Spatial effects of photosensitization on morphology of giant unilamellar vesicles	3
Intrinsically disordered proteins: Chronology of a discovery	3
Effect of pH on the interfacial and foaming properties of Maillard reaction-modified proteins	3
Protein folding in vitro and in the cell: From a solitary journey to a team effort	3
Charge transfer across biomembranes: A solution to the conundrum of high desolvation free energy penalty in ion transport	3
An evidence of pores in phospholipid membrane induced by an antimicrobial peptide NK-2	3
Probing and gauging of D-Penicillamine xenobiotics in hepatic Wilson disease patients	3
smFRET study of rRNA dimerization at the peptidyl transfer center	3
Editorial Board	3
Insight into glucocorticoids glucosylation by glucosyltransferase: A combined experimental and in-silico approach	3
Lipid membrane-mediated assembly of the functional amyloid-forming peptide Somatostatin-14	3
Response to “Molecular-level understanding of biological energy coupling and transduction: Response to “Chemiosmotic misunderstandings””	3
Editorial Board	3
Inhibition of insulin fibrillation by carboxyphenylboronic acid-modified chitosan oligosaccharide based on electrostatic interactions and hydrophobic interactions	3
Understanding the structural dynamics of human islet amyloid polypeptide: Advancements in and applications of ion-mobility mass spectrometry	3
Insights into the structure-activity relationship of pyrimidine-sulfonamide analogues for targeting BRAF V600E protein	3
Aromatic interaction of hydantoin compounds leads to virucidal activities	3
Design, synthesis, molecular modelling and antiproliferative evaluation of novel benzothiazole trihybrids	3
A common ATP-dependent stepping model for kinesin-5 and kinesin-1: Mechanism of bi-directionality of kinesin-5	3
In vitro and in silico effect of meldrum's acid-derived compounds on Staphylococcus aureus strains as NorA efflux pump inhibitors	3
Editorial Board	3
Phospholipid lateral diffusion in the presence of cationic peptides as measured via 31P CODEX NMR	3
Nuclease resistance and protein recognition properties of DNA and hybrid PNA-DNA four-way junctions	3
In-silico studies on hydration in EcoRI-cognate DNA complex	3
Combined effect of the head groups and alkyl chains of archaea lipids when interacting with bacteriorhodopsin	3
Editorial Board	3
Key arginine residues in R2D2 dsRBD1 and dsRBD2 lead the siRNA recognition in Drosophila melanogaster RNAi pathway	3
DNA groove binder and significant cytotoxic activity on human colon cancer cells: Potential of a dimeric zinc (II) phthalocyanine derivative	3
Nano-bio convergence unveiled: Systematic review on quantum dots-protein interaction, their implications, and applications	3
Liposomes encapsulating artificial cytosol as drug delivery system	3
Exploring isotropic tendency for the blue membrane containing wild-type bacteriorhodopsin	2
Editorial Board	2
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Transient protonic capacitor: Explaining the bacteriorhodopsin membrane experiment of Heberle et al. 1994	2
Biochemical and biophysical properties of a recombinant serine peptidase from Purpureocillium lilacinum	2
Cation valence dependence of hydrogen bond and stacking potentials in DNA mesoscopic models	2
Pseudo-phosphorylation of essential light chains affects the functioning of skeletal muscle myosin	2
In silico drug discovery for a complex immunotherapeutic target - human c-Rel protein	2
Aβ42 fibril and non-fibril oligomers characterization using a nanopipette	2
Pressure-temperature control of activity of RNA polymerase ribozyme	2
Binding free energy calculation of human beta defensin 3 with negatively charged lipid bilayer using free energy perturbation method	2
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	2
Polymyxin B accelerates the α-synuclein aggregation	2
A strategy based on gene sequencing and molecular docking for analysis and prediction of bioactive peptides in Shuxuetong injection	2
On molecular steps that activate a voltage sensitive ion channel at critical depolarization	2
A rhein-huprine hybrid protects erythrocyte membrane integrity against Alzheimer’s disease related Aβ(1-42) peptide	2
Solvation and expansion of neutral and charged chains of a carbohydrate polyelectrolyte: Galacturonan in water. A critical revisiting	2
Structural insights on the deformations induced by various mutations on cholesteryl ester transfer protein	2
Structural analysis of ATP bound to the F1-ATPase β-subunit monomer by solid-state NMR- insight into the hydrolysis mechanism in F1	2
Viper toxins affect membrane characteristics of human erythrocytes	2
The interplay between Glucocerebrosidase, α-synuclein and lipids in human models of Parkinson’s disease	2
Global kinetic mechanism describing single nucleotide incorporation for RNA polymerase I reveals fast UMP incorporation	2
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	2
The pH dependence of emulsifying properties for glutathione disulfide at oil-water interfaces	2
Effects of an external static EF on the conformational transition of 5-HT1A receptor: A molecular dynamics simulation study	2
A single-molecule stochastic theory of protein-ligand binding in the presence of multiple unfolding/folding and ligand binding pathways	2
Structural preferences of an anti-fouling peptide: From single chain to small molecular assemblies	2
Editorial Board	2
Exploring the aggregation of amyloid-β 42 through Monte Carlo simulations	2
Activation of enzymatic ethanol oxidation by ATP hydrolysis energy transferred to ADH1A enzyme molecule over Müller cell intermediate filaments	2
Characterization of the interaction of metal-protoporphyrins photosensitizers with β- lactoglobulin	2
Caffeine modulates the intercalation of drugs on DNA: A study at the single molecule level	2
Membrane fusion of phospholipid bilayers under high pressure: Spherical and irreversible growth of giant vesicles	2
Direct interaction between the transmembrane helices stabilize cytochrome P450 2B4 and cytochrome b5 redox complex	2
The effect of human serum albumin glycation on the binding of antidiabetic agent-exenatide; the multispectroscopic studies. Part II	2
Editorial Board	2
Editorial Board	2