Biophysical Chemistry

Article	Citations
Disordered regions tune order in chromatin organization and function	66
The contrasting roles of co-solvents in protein formulations and food products	59
Intrinsic disorder and structural biology: Searching where the light isn't	55
Free energy landscape of wrapping of lipid nanocluster by polysaccharides	53
Editorial Board	46
Studies on stabilization of collagen using Cr-doped polydopamine complex	45
The role of hydrophobic patches of de novo designed MSI-78 and VG16KRKP antimicrobial peptides on fragmenting model bilayer membranes	40
Probing pharmaceutically important amino acids L-isoleucine and L-tyrosine Solubilities: Unraveling the solvation thermodynamics in diverse mixed solvent systems	39
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	39
Effect of cycloastragenol and punicalagin on Prp(106–126) and Aβ(25–35) oligomerization and fibrillizaton	38
Interaction of gentamicin and gentamicin-AOT with poly-(lactide-co-glycolate) in a drug delivery system - density functional theory calculations and molecular dynamics simulation	36
Membrane-water partitioning – Tackling the challenges of poorly soluble drugs using chaotropic co-solvents	36
Dimethyl sulfoxide (DMSO) is a stabilizing co-solvent for G-quadruplex DNA	27
In silico investigation on the mutational analysis of BRCA1-BARD1 RING domains and its effect on nucleosome recognition and ubiquitination	27
Unveiling the mechanisms underlying photothermal efficiency of gold shell-isolated nanoparticles (AuSHINs) on ductal mammary carcinoma cells (BT-474)	25
Coupling of conformation and CPD damage in nucleosomal DNA	25
Editorial Board	24
PolyQ aggregation studied by model peptides with intrinsic tryptophan fluorophores	20
Investigation of serotonin-receptor interactions, stability and signal transduction pathways via molecular dynamics simulations	20
Quantification of protein-protein interactions and activation dynamics: A new path to predictive biomarkers	19
The effect of various compounds on the COVID mechanisms, from chemical to molecular aspects	19
A pH-dependent protein stability switch coupled to the perturbed pKa of a single ionizable residue	19
Free energy simulations to understand the effect of Met → Ala mutations at positions 205, 206 and 213 on stability of human prion protein	18
Potential allosteric sites captured in glycolytic enzymes via residue-based network models: Phosphofructokinase, glyceraldehyde-3-phosphate dehydrogenase and pyruvate kinase	18
Structural aspects of the MHC expression control system	18

Protein vibrations and their localization behaviour. A numerical scaling analysis	17
Selective IR super-resolution imaging of β-keratins at the bulk or interface in feather detected by using a nonlinear optical process	17
Dietary polyphenols inhibit plasma protein arabinosylation: Biomolecular interaction of genistein and ellagic acid with serum albumins	16
Infrared spectrochemical findings on intermittent fasting-associated gross molecular modifications in rat myocardium	15
How to evict HP1 from H3: Using a complex salt bridge	15
Differential effect of polyol and sugar osmolytes on the refolding of homologous alpha amylases: A comparative study	15
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	13
smFRET study of rRNA dimerization at the peptidyl transfer center	13
Editorial Board	13
Computational pharmacology: New avenues for COVID-19 therapeutics search and better preparedness for future pandemic crises	13
Atomic insights into the inhibition of R3 domain of tau protein by epigallocatechin gallate, quercetin and gallic acid	13
Arbidol targeting influenza virus A Hemagglutinin; A comparative study	13
Elucidating the conformational behavior and membrane-destabilizing capability of the antimicrobial peptide ecPis-4s	12
Charge transfer across biomembranes: A solution to the conundrum of high desolvation free energy penalty in ion transport	12
Transient protonic capacitor: Explaining the bacteriorhodopsin membrane experiment of Heberle et al. 1994	12
Isolated auto-citrullinated regions of PADI4 associate to the intact protein without altering their disordered conformation	12
Editorial Board	12
Protein folding in vitro and in the cell: From a solitary journey to a team effort	12
Editorial Board	12
Interdomain interactions in Grb2 revealed by the conformational stability and CD28 binding analysis	12
Different behavior of Ferguson plot between agarose and polyacrylamide gels	12
Hydrogen‑deuterium exchange mass spectrometry to study interactions and conformational changes of proteins in paints	12
Molecular insights into the interaction of angiotensin I-converting enzyme (ACE) inhibitors and HEXXH motif	11
DODAB vesicles containing lysophosphatidylcholines: The relevance of acyl chain saturation on the membrane structure and thermal properties	11
Exploring the aggregation of amyloid-β 42 through Monte Carlo simulations	11
Elucidation of benzene sulfonamide derivative binding at a novel interprotomer pocket of wild type and mutants of coxsackievirus B3 viral capsid using molecular dynamics simulations and density functi	11
Challenges for design of aggregation-resistant variants of granulocyte colony-stimulating factor	11
Aβ42 fibril and non-fibril oligomers characterization using a nanopipette	11
Decoding SARS-CoV-2 variants: Mutations, viral stability, and breakthroughs in vaccines and therapies	11
C-terminal determinants for RNA binding motif 7 protein stability and RNA recognition	11
Studies of the highly potent lantibiotic peptide nisin Z in aqueous solutions of salts and biological buffer components	11
Biochemical and biophysical properties of a recombinant serine peptidase from Purpureocillium lilacinum	11
A deep learning framework for enhancer prediction using word embedding and sequence generation	11
Probing the ligand-binding pocket of recombinant β-lactoglobulin: Calorimetric and spectroscopic studies	10
Assessing the DNA structural integrity via selective annihilation of Watson-Crick hydrogen bonds: Insights from molecular dynamics simulations	10
Conformational changes of α-helical peptides with different hydrophobic residues induced by metal-ion binding	10
Exploring the physicochemical properties of the integration of Tristearoyl uridine in Langmuir monolayers: An approach to cell membrane modeling for prodrugs	10
Protonic conductor: Explaining the transient “excess protons” experiment of Pohl's group 2012	10
NMR and EPR study of the interaction of tris(3-hydroxy-4-pyridinonato) Ga(III) complexes with liposomes that mimic plant membranes	10
Characterization of plasmatic proteins adsorption on poly(styrene sodium sulfonate) functionalized silicone surfaces	10
Discovery of TGFBR1 (ALK5) as a potential drug target of quercetin glycoside derivatives (QGDs) by reverse molecular docking and molecular dynamics simulation	10
Chemical modifications to mRNA nucleobases impact translation elongation and termination	9
Modeling of enzymatic activity of free β-glucosidase from palm weevil, Rhynchophorus palmarum Linn. (Coleoptera: Curculionidae) larvae: Effects of pH and temperature	9
Sugar distributions on gangliosides guide the formation and stability of amyloid-β oligomers	9
Binding properties of recombinant LDL receptor and LOX-1 receptor to LDL measured using bio-layer interferometry and atomic force microscopy	9
Fifty-hertz magnetic fields induce DNA damage through activating mPTP associated mitochondrial permeability transition in senescent human fetal lung fibroblasts	9
Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme	9
Structural and mechanical behavior of type-I collagen fibrils in presence of induced electrostatic interactions through ionic liquids	9
Self-assembling of coiled-coil peptides into virus-like particles: Basic principles, properties, design, and applications with special focus on vaccine design and delivery	9
The membrane-binding bacterial toxin long direct repeat D inhibits protein translation	9

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	9
Oxygen vacancy assisted condensation of DNA molecule observed on ZnO thin film	9
A pipeline to evaluate the discrepant interactions between typical nitrogenous disinfection byproduct haloacetonitriles and human hemoglobin	8
Editorial Board	8
The role of nonlinear axonal membrane capacitance in modulating ion channel cooperativity in action potential dynamics: Studies on Hodgkin-Huxley's model	8
The scientific adventures of Richard Epand	8
Interaction of detergent with complex mimics of bacterial membranes	8
Salt-dependent passive adsorption of IgG1κ-type monoclonal antibodies on hydrophobic microparticles	8
Structural dynamics of a designed peptide pore under an external electric field	8
Editorial Board	8
A combination of structure-based virtual screening and experimental strategies to identify the potency of caffeic acid ester derivatives as SARS-CoV-2 3CLpro inhibitor from an in-house database	8
Exploring the binding kinetics and behaviors of self-aggregated beta-amyloid oligomers to phase-separated lipid rafts with or without ganglioside-clusters	8
Computational design of a β-wrapin's N-terminal domain with canonical and non-canonical amino acid modifications mimicking curcumin's proposed inhibitory function	8
Simulated pressure changes in LacI suggest a link between hydration and functional conformational changes	8
Excitation energy migration to study protein oligomerization and amyloid formation	8
pH dependence of C•A, G•A and A•A mismatches in the stem of precursor microRNA-31	8
Analyzing the interaction of Helicobacter pylori GAPDH with host molecules and hemin: Inhibition of hemin binding	8
Biophysical significance of fluorescence spectroscopy in deciphering nucleic acid dynamics: From fundamental to recent advancements	8
The B-box1 domain of PML mediates SUMO E2-E3 complex formation through an atypical interaction with UBC9	8
Isolation of Amyloid-like Protein Aggregates (APA) from white bread and their characterisation	7
Editorial Board	7
Editorial Board	7
Biotransformation of phenytoin in the electrochemically-driven CYP2C19 system	7
Luteoloside inhibits Aβ1–42 fibrillogenesis, disintegrates preformed fibrils, and alleviates amyloid-induced cytotoxicity	7
Editorial Board	7
How to best estimate the viscosity of lipid bilayers	7
Editorial Board	7
The composition of fusogenic lipid mixtures at the air-water modulates the physicochemical properties changes upon interaction with lysicamine	7
Editorial Board	7
Differential effects of DTT on HEWL amyloid fibrillation and fibril morphology at different pH	7
Crystal structure analysis of pyrrolidone carboxyl peptidase from Thermus thermophilus	7
Influence of amphotericin B on the DPPC/DOPC/sterols mixed monolayer in the presence of calcium ions	7
Effects of curcumin in the interaction with cardiolipin-containg lipid monolayers and bilayers	7
Targeting hydrophobicity in biofilm-associated protein (Bap) as a novel antibiofilm strategy against Staphylococcus aureus biofilm	7
Oxidative damage to βL-crystallin in vitro by iron compounds formed in physiological buffers	7
Tunnel connects lipid bilayer to occluded odorant-binding site of insect olfactory receptor	7
Thermodynamics of oligomerization and Helix-to-sheet structural transition of amyloid β-protein on anionic phospholipid vesicles	7
ROC-guided virtual screening, molecular dynamics simulation, and bioactivity validation assessment Z195914464 as a 3CL Mpro inhibitor	7
Molecular dynamics of SARS-CoV-2 omicron variants from Philippine isolates against hesperidin as spike protein inhibitor	6
Reversible and irreversible mitochondrial swelling in vitro	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
Identification of the therapeutic potential of novel TIGIT/PVR interaction blockers based advanced computational techniques and experimental validation	6
Coupling mechanisms in ATP synthesis: Rejoinder to “Response to molecular-level understanding of biological energy coupling and transduction”	6
Evidence of the different effect of mercury and cadmium on the hIAPP aggregation process	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
Identification of determinants of lipid and ion transport in TMEM16/anoctamin proteins through a Bayesian statistical analysis	6
Richer than previously probed: An application of 1H NMR reveals one hundred metabolites using only fifty microliter serum	6
The role of the lipid environment in the activity of G protein coupled receptors	6
Metal-binding and folding thermodynamics of Escherichia coli ribonuclease HI related to its catalytic function	6
A semiempirical and machine learning approach for fragment-based structural analysis of non-hydroxamate HDAC3 inhibitors	6
Secondary structure of peptides mimicking the Gly-rich regions of major ampullate spidroin protein 1 and 2	6
An interpretable machine learning method for homo-trimeric protein interface residue-residue interaction prediction	6
Mutations in asparaginase II from E. coli and implications for inactivation and PEGylation	6
Effect of partial O-methylation in dehydrodieugenol on its antitrypanosomal activity - correlation with the toxicity using cell membrane models	6
Effects of an external static EF on the conformational transition of 5-HT1A receptor: A molecular dynamics simulation study	5
In silico drug discovery for a complex immunotherapeutic target - human c-Rel protein	5
Analyzing of L-tryptophan thermodynamics and its solubility in aqueous acetonitrile blends at diverse temperatures	5
Editorial Board	5
Asymmetrical interactions between nanoparticles and proteins arising from deformation upon adsorption to surfaces	5
Salvianolic acid B prevents the amyloid transformation of A53T mutant of α-synuclein	5
Hydrolysis rate constants of ATP determined in situ at elevated temperatures	5
Editorial Board	5
pH-equilibration of human hair: Kinetics and pH-dependence of the partition ratios for H − and OH -ions based on a Freundlich isotherm	5
Biocementation of soils of different surface chemistries via enzyme induced carbonate precipitation (EICP): An integrated laboratory and molecular dynamics study	5
Structural packing of the non-amyloid component core domain in α-synuclein plays a role in the stability of the fibrils	5
Probing and gauging of D-Penicillamine xenobiotics in hepatic Wilson disease patients	5
Liposomes encapsulating artificial cytosol as drug delivery system	5
The effect of human serum albumin glycation on the binding of antidiabetic agent-exenatide; the multispectroscopic studies. Part II	5
Copper(II) enhances the antibacterial activity of nitroxoline against MRSA by promoting aerobic glycolysis	5
Lipid domain boundary triggers membrane damage and protein folding of human islet amyloid polypeptide in the early pathogenesis of amyloid diseases	5
A benchmark for evaluation of structure-based online tools for antibody-antigen binding affinity	5
Membrane fusion of phospholipid bilayers under high pressure: Spherical and irreversible growth of giant vesicles	5
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	5
The pH dependence of emulsifying properties for glutathione disulfide at oil-water interfaces	5
Cationic liposomes as carriers of natural compounds from plant extract	5
Combined effect of the head groups and alkyl chains of archaea lipids when interacting with bacteriorhodopsin	5
Mechanistic and biophysical insight into the inhibitory and disaggregase role of antibiotic moxifloxacin on human lysozyme amyloid formation	5
A computational evaluation of targeted oxidation strategy (TOS) for potential inhibition of SARS-CoV-2 by disulfiram and analogues	5
Aggregation and partitioning of amyloid peptide fragments in the presence of a lipid bilayer: A coarse grained molecular dynamics study	5
The influence of pH on the structure and stability of the Grb2 dimer reveals changes in the inter-domain and molecular interaction: Could it be a modulation mechanism?	5

Analysis of solid-state NMR data facilitated by MagRO_NMRViewJ with Graph_Robot: Application for membrane protein and amyloid.	4
Improved analysis of NMR chemical shift perturbations through an error estimation method	4
Effect of a U:G mispair on the water around DNA	4
Affinity of aromatic amino acid side chains in amino acid solvents	4
A surprisingly simple three-state generic process for reversible protein denaturation by trifluoroethanol	4
Nearest-neighbour parametrization of DNA single, double and triple mismatches at low sodium concentration	4
Allostery, and how to define and measure signal transduction	4
Composition of raft-like cell membrane microdomains resistant to styrene-maleic acid copolymer (SMA) solubilization	4
In silico analysis of aptamer-RNA conjugate interactions with human transferrin receptor	4
Influence of the gallate moiety on the interactions between green tea polyphenols and lipid membranes elucidated by molecular dynamics simulations	4
Protein–lipid acyl chain interactions: Depth-dependent changes of segmental mobility of phospholipid in contact with bacteriorhodopsin	4
The food and pharmaceutical additive benzoic acid induces amyloid fibrillation of an intrinsically disordered protein	4
Bilirubin nanotechnology: An innovative approach in biomedicine	4
The processing intermediate of human amylin, pro-amylin(1–48), has in vivo and in vitro bioactivity	4
Editorial Board	4
Force-induced unzipping of DNA in the presence of solvent molecules	4
Urineprint of high-altitude: Insights from analyses of urinary biomarkers and bio-physical-chemical features of extracellular vesicles	4
Bacterial rRNA A-site recognition by DAPI: Signatures of intercalative binding	4
Influence of docosahexaenoic acid on the interfacial behavior of cholesterol-containing lipid membranes: Interactions with small amphiphiles and hydration properties	4
Interaction of negatively and positively capped gold nanoparticle with different lipid model membranes	4
Conformational stability and order of Hoogsteen base pair induced by protein binding	4
Photophysical and structural aspects of poly-L-tryptophan: π−π	4
Theoretical investigation of the electronic absorption spectra of the glucosides	4
Matairesinol, an active constituent of HC9 polyherbal formulation, exhibits HDAC8 inhibitory and anticancer activity	4
Positive cooperativity during Azotobacter vinelandii nitrogenase-catalyzed acetylene reduction	4
Editorial Board	4
Binding between an amine cationic surfactant and DNA and surface properties of the resultant aggregates	4
Editorial Board	4
Inhibitory effects of carbon quantum dots towards hen egg white lysozyme amyloidogenesis through formation of a stable protein complex	4
Interaction mechanism of a cysteine protease inhibitor, odanacatib, with human serum albumin: In vitro and bioinformatics studies	4
Decoding the dynamics of BCL9 triazole stapled peptide	4
Osmotic stress studies of G-protein-coupled receptor rhodopsin activation	4
Nanoscale intracellular ultrastructures affected by osmotic pressure using small-angle X-ray scattering	4
An evidence of pores in phospholipid membrane induced by an antimicrobial peptide NK-2	3
An Atlas of the base inter-RNA stacks involved in bacterial translation	3
The growth of microbial cultures complies with the laws of thermodynamics	3
Pomegranate peel, chokeberry leaves and Ironwort extract as novel natural inhibitors of amylin aggregation and cellular toxicity in pancreatic β cells	3
Nuclease resistance and protein recognition properties of DNA and hybrid PNA-DNA four-way junctions	3
Characterization of the interaction of metal-protoporphyrins photosensitizers with β- lactoglobulin	3
Intrinsically disordered proteins/regions and insight into their biomolecular interactions	3
Polymyxin B accelerates the α-synuclein aggregation	3
Neuroinflammation induced by amyloid-forming pancreatic amylin: Rationale for a mechanistic hypothesis	3
The structure, self-assembly and dynamics of lipid nanodiscs revealed by computational approaches	3
Radiation-induced alterations in the dielectric features of irradiated tissues	3
Editorial for the special issue “A Celebration of Women in Biophysical Chemistry”	3
Structural dynamics of a DNA-binding protein analyzed using diffracted X-ray tracking	3
Modulating the pH-activity profile of the glucose isomerase from Thermotoga marimita by introducing positively and negatively charged residues	3
Effect of ergosterol or cholesterol on the morphology and dynamics of the POPC/sphingomyelin bilayer	3
Editorial Board	3
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	3
Serum albumin mitigated perfluorooctane sulfonate-induced cytotoxicity by affecting the cellular responses	3
Understanding the conformational changes in the influenza B M2 ion channel at various protonation states	3
Editorial Board	3
The interplay between Glucocerebrosidase, α-synuclein and lipids in human models of Parkinson’s disease	3
Decrypting the interaction pattern of Piperlongumine with calf thymus DNA and dodecamer d(CGCGAATTCGCG)2 B-DNA: Biophysical and molecular docking analysis	3
Editorial Board	3
Spectroscopy studies of interaction hypericin with an anti-cancer therapy drug doxorubicin	3
Alpha-synuclein phosphorylation induces amyloid conversion via enhanced electrostatic bridging: Insights from molecular modeling of the full-length protein	3
Trp residues near peptide termini enhance the membranolytic activity of cationic amphipathic α-helices	3
Investigating the role of axonal ion channel cooperativity in action potential dynamics: Studies on Hodgkin-Huxley's model	3
Amyloids, amorphous aggregates and assemblies of peptides – Assessing aggregation	3
Studies on the binding of wedelolactone to human serum albumin with multi-spectroscopic analysis, molecular docking and molecular dynamic simulation	3
A model of minimal entropy generation for cytoskeletal transport systems with multiple interacting motors	3
The native state conformational heterogeneity in the energy landscape of protein folding	3
Energy absorption of human red blood cells and conductivity of the cytoplasm influenced by temperature	3
Citrullination of adenosine deaminase impairs its binding to dipeptidyl peptidase IV	3
Enzyme free energy profiles: Can substrate binding be nonspontaneous? Can ground state interactions enhance catalysis?	3
Palmitoylation modifies transmembrane adaptor protein PAG for ordered lipid environment: A molecular dynamics simulation study	3
Topical ocular administration using thermosensitive chitosan-glycerophosphate-PRP hydrogels for improved ocular bioavailability	3
Sodium fusidate prevents protein aggregation of silk fibroin and offers new perspectives for human lens material disaggregation	3
DNA groove binder and significant cytotoxic activity on human colon cancer cells: Potential of a dimeric zinc (II) phthalocyanine derivative	3
Editorial Board	3
Quantum mechanics in ion channel	3
Editorial Board	3
Non-micellar ganglioside GM1 induces an instantaneous conformational change in Aβ42 leading to the modulation of the peptide amyloid-fibril pathway	3
Unbiased clustering of residues undergoing synchronous motions in proteins using NMR spin relaxation data	3
Dependence of cell's membrane potential on extracellular voltage observed in Chara globularis	3
Development of immobilized peroxidase on amino-functionalized magnetic MgFe2O4 nanoparticles for antioxidant activity and decolorization	3
Amyloid-like aggregation of bovine serum albumin at physiological temperature induced by cross-seeding effect of HEWL amyloid aggregates	3
A rhein-huprine hybrid protects erythrocyte membrane integrity against Alzheimer’s disease related Aβ(1-42) peptide	3
A single-molecule stochastic theory of protein-ligand binding in the presence of multiple unfolding/folding and ligand binding pathways	3
The effect of methylated phosphatidylethanolamine derivatives on the ionization properties of signaling phosphatidic acid	3
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	3
Cholesterol modulates the interaction of sodium salt with negatively charged phospholipid membrane	3
Bilirubin: Photophysical and photochemical properties, phototherapy, analytical methods of measurement. A short review	2
Editorial Board	2
Chemical stabilization of γ-polyglutamate by chitosan and the effect of co-solvents on the stability	2
Phase behaviour and adsorption of deoxyribonucleic acid onto an azobenzene liquid crystalline ligand at the interfaces	2
Membrane shape as determinant of protein properties	2
Editorial Board	2
Interaction of the tau fibrils with the neuronal membrane	2
Editorial Board	2
Importance of interface and surface areas in protein-protein binding affinity prediction: A machine learning analysis based on linear regression and artificial neural network	2
Homology modelling, molecular dynamics simulation and docking evaluation of β-tubulin of Schistosoma mansoni	2
Targeting phenylalanine assemblies as a prospective disease-modifying therapy for phenylketonuria	2