Biophysical Chemistry

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
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Probing pharmaceutically important amino acids L-isoleucine and L-tyrosine Solubilities: Unraveling the solvation thermodynamics in diverse mixed solvent systems	39
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Intrinsic disorder and structural biology: Searching where the light isn't	35
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The composition of fusogenic lipid mixtures at the air-water modulates the physicochemical properties changes upon interaction with lysicamine	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
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Comparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach	21
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
Bilirubin: Photophysical and photochemical properties, phototherapy, analytical methods of measurement. A short review	19
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
Structure and energetics guide dynamic behaviour in a T = 3 icosahedral virus capsid	18
Dissecting the effect of ALS mutation S375G on the conformational properties and aggregation dynamics of TDP-43370-375 fragment	17

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
Tunnel connects lipid bilayer to occluded odorant-binding site of insect olfactory receptor	16
Amyloid-like aggregation of bovine serum albumin at physiological temperature induced by cross-seeding effect of HEWL amyloid aggregates	16
The contrasting roles of co-solvents in protein formulations and food products	15
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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
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
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
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
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
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
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
How to best estimate the viscosity of lipid bilayers	8

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Membrane shape as determinant of protein properties	8
Amyloids, amorphous aggregates and assemblies of peptides – Assessing aggregation	8
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A novel assay for the determination of PreScission protease by capillary electrophoresis	8
Targeting hydrophobicity in biofilm-associated protein (Bap) as a novel antibiofilm strategy against Staphylococcus aureus biofilm	8
In silico investigation on the mutational analysis of BRCA1-BARD1 RING domains and its effect on nucleosome recognition and ubiquitination	8
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
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Tailoring of hydroxyapatite nanoparticle surfaces of varying morphologies to facilitate counterion diffusion and subsequent protein denaturation	8
Potential allosteric sites captured in glycolytic enzymes via residue-based network models: Phosphofructokinase, glyceraldehyde-3-phosphate dehydrogenase and pyruvate kinase	8
High-resolution heteronuclear correlations between spin-1/2 and half-integer quadrupolar nuclei under fast MAS solid-state NMR	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 evict HP1 from H3: Using a complex salt bridge	8
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
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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
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Molecular dynamics of SARS-CoV-2 omicron variants from Philippine isolates against hesperidin as spike protein inhibitor	7
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
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
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
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

Atomic insights into the inhibition of R3 domain of tau protein by epigallocatechin gallate, quercetin and gallic acid	4
Structural and functional evaluation mammalian and plant lipoxygenases upon association with nanodics as membrane mimetics	4
Protein folding in vitro and in the cell: From a solitary journey to a team effort	4
The effect of human serum albumin glycation on the binding of antidiabetic agent-exenatide; the multispectroscopic studies. Part II	4
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	4
Ganglioside GM3 stimulates lipid-protein co-assembly in α-synuclein amyloid formation	4
Cationic liposomes as carriers of natural compounds from plant extract	4
The growth of microbial cultures complies with the laws of thermodynamics	4
Biophysical insight into anti-amyloidogenic nature of novel ionic Co(II)(phen)(H2O)4]+[glycinate]– chemotherapeutic drug candidate against human lysozyme aggregation.	4
Multi-start Evolutionary Nonlinear OpTimizeR (MENOTR): A hybrid parameter optimization toolbox	4
Spatial effects of photosensitization on morphology of giant unilamellar vesicles	4
iDHS-DT: Identifying DNase I hypersensitive sites by integrating DNA dinucleotide and trinucleotide information	4
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
Probing the interactions between amyloidogenic proteins and bio-membranes	4
Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations	4
Decrypting the interaction pattern of Piperlongumine with calf thymus DNA and dodecamer d(CGCGAATTCGCG)2 B-DNA: Biophysical and molecular docking analysis	4
Understanding the structural dynamics of human islet amyloid polypeptide: Advancements in and applications of ion-mobility mass spectrometry	4
The mechanism of action of T-705 as a unique delayed chain terminator on influenza viral polymerase transcription	4
Citrullination of adenosine deaminase impairs its binding to dipeptidyl peptidase IV	4
The thermodynamic and kinetic mechanisms of a Ganoderma lucidum proteoglycan inhibiting hIAPP amyloidosis	4
Salvianolic acid B prevents the amyloid transformation of A53T mutant of α-synuclein	4
Studies on the binding of wedelolactone to human serum albumin with multi-spectroscopic analysis, molecular docking and molecular dynamic simulation	4
Probing and gauging of D-Penicillamine xenobiotics in hepatic Wilson disease patients	4
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In-cell 31P solid-state NMR measurements of the lipid dynamics and influence of exogeneous β-amyloid peptides on live neuroblastoma neuro-2a cells	4
Arbidol targeting influenza virus A Hemagglutinin; A comparative study	4
Analyzing of L-tryptophan thermodynamics and its solubility in aqueous acetonitrile blends at diverse temperatures	3
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Biophysical characterization of hydrogen sulfide: A fundamental exploration in understanding significance in cell signaling	3
Corrigendum to “Modern theory of energy coupling and ATP synthesis: Violation of Gauss’s law by the chemiosmotic theory and validation of the two-ion theory” [Biophysical Chemistry 2019, 255:106271]	3
Insight into glucocorticoids glucosylation by glucosyltransferase: A combined experimental and in-silico approach	3
The swelling behaviour of hair studied through the structural change of keratin protein during the permanent waving treatment	3
The pH dependence of emulsifying properties for glutathione disulfide at oil-water interfaces	3
Enzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methods	3
An evidence of pores in phospholipid membrane induced by an antimicrobial peptide NK-2	3
Inside and outside of virus-like particles HBc and HBc/4M2e: A comprehensive study of the structure	3
Liposomes encapsulating artificial cytosol as drug delivery system	3
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smFRET study of rRNA dimerization at the peptidyl transfer center	3
Design, synthesis, molecular modelling and antiproliferative evaluation of novel benzothiazole trihybrids	3
In vitro and in silico effect of meldrum's acid-derived compounds on Staphylococcus aureus strains as NorA efflux pump inhibitors	3
Nano-bio convergence unveiled: Systematic review on quantum dots-protein interaction, their implications, and applications	3
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Effects of antimicrobial peptides on membrane dynamics: A comparison of fluorescence and NMR experiments	3
Intrinsically disordered proteins: Chronology of a discovery	3
Infrared spectrochemical findings on intermittent fasting-associated gross molecular modifications in rat myocardium	3
Quantifying the impact of initial RNA primer length on nucleotide addition by RNA polymerase I	3
Computational pharmacology: New avenues for COVID-19 therapeutics search and better preparedness for future pandemic crises	3
Exploring the synergistic effects of amoxicillin and methylene blue on unsaturated lipid structures: A study of Langmuir monolayers and giant unilamellar vesicles	3
Binding free energy calculation of human beta defensin 3 with negatively charged lipid bilayer using free energy perturbation method	3
DNA groove binder and significant cytotoxic activity on human colon cancer cells: Potential of a dimeric zinc (II) phthalocyanine derivative	3
Effect of mono- and diketone group in curcumin analogues on amyloid fibrillation of hen egg white lysozyme	3
Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2	3
Nuclease resistance and protein recognition properties of DNA and hybrid PNA-DNA four-way junctions	3
Enzyme free energy profiles: Can substrate binding be nonspontaneous? Can ground state interactions enhance catalysis?	3
Enhancing solution structural analysis of large molecular proteins through optimal stereo array isotope labeling of aromatic amino acids	3
Structure and interaction roles in the release profile of chalcone-loaded liposomes	3
Designing surface exposed sites on Bacillus subtilis lipase A for spin-labeling and hydration studies	3
In-silico studies on hydration in EcoRI-cognate DNA complex	3
Islet amyloid polypeptide tagged with green fluorescent protein localises to mitochondria and forms filamentous aggregates in Caenorhabditis elegans	3
Inhibition of insulin fibrillation by carboxyphenylboronic acid-modified chitosan oligosaccharide based on electrostatic interactions and hydrophobic interactions	3
Lipid membrane-mediated assembly of the functional amyloid-forming peptide Somatostatin-14	3
Mapping conformational landscape in protein folding: Benchmarking dimensionality reduction and clustering techniques on the Trp-Cage mini-protein	3
Real-time NMR analysis of polyhydroxyalkanoate synthase reaction that synthesizes block copolymer comprising glycolate and 3-hydroxybutyrate	3
Cholesterol and melatonin regulated membrane fluidity does not affect the membrane breakage triggered by amyloid-beta peptide	3
Global kinetic mechanism describing single nucleotide incorporation for RNA polymerase I reveals fast UMP incorporation	3
Combined effect of the head groups and alkyl chains of archaea lipids when interacting with bacteriorhodopsin	3
Effect of pH on the interfacial and foaming properties of Maillard reaction-modified proteins	3
Characterisation of cell membrane interaction mechanisms of antimicrobial peptides by electrical bilayer recording	3
Structural dynamics of a DNA-binding protein analyzed using diffracted X-ray tracking	3
Phospholipid lateral diffusion in the presence of cationic peptides as measured via 31P CODEX NMR	3
A common ATP-dependent stepping model for kinesin-5 and kinesin-1: Mechanism of bi-directionality of kinesin-5	3
Charge transfer across biomembranes: A solution to the conundrum of high desolvation free energy penalty in ion transport	3
Key arginine residues in R2D2 dsRBD1 and dsRBD2 lead the siRNA recognition in Drosophila melanogaster RNAi pathway	3
Lipid acyl chain protrusion induced by the influenza virus hemagglutinin fusion peptide detected by NMR paramagnetic relaxation enhancement	3
Solvation and expansion of neutral and charged chains of a carbohydrate polyelectrolyte: Galacturonan in water. A critical revisiting	2
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A rhein-huprine hybrid protects erythrocyte membrane integrity against Alzheimer’s disease related Aβ(1-42) peptide	2
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A single-molecule stochastic theory of protein-ligand binding in the presence of multiple unfolding/folding and ligand binding pathways	2
Exploring isotropic tendency for the blue membrane containing wild-type bacteriorhodopsin	2
Pseudo-phosphorylation of essential light chains affects the functioning of skeletal muscle myosin	2
Biochemical and biophysical properties of a recombinant serine peptidase from Purpureocillium lilacinum	2
A strategy based on gene sequencing and molecular docking for analysis and prediction of bioactive peptides in Shuxuetong injection	2
Asymmetrical interactions between nanoparticles and proteins arising from deformation upon adsorption to surfaces	2
Cholesterol solubility in mixed DMPE/DMPC bilayers as determined by small angle X-ray scattering	2
On molecular steps that activate a voltage sensitive ion channel at critical depolarization	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
Activation of enzymatic ethanol oxidation by ATP hydrolysis energy transferred to ADH1A enzyme molecule over Müller cell intermediate filaments	2
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Revealing intrinsic changes of DNA induced by spore photoproduct lesion through computer simulation	2
Hydrogen‑deuterium exchange mass spectrometry to study interactions and conformational changes of proteins in paints	2
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