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Coil–Globule–Coil Transition of PNIPAm in Aqueous Methanol: Coupling All-Atom Simulations to Semi-Grand Canonical Coarse-Grained Reservoir
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.10307openalex-snapshot
Deriving effective mesoscale potentials from atomistic simulations
inferredcites →https://doi.org/10.1002/polb.23194openalex-snapshot
Temperature dependent phase behavior of PNIPAM microgels in mixed water/methanol solvents
inferredcites →https://doi.org/10.1007/s008940100045openalex-snapshot
GROMACS 3.0: a package for molecular simulation and trajectory analysis
inferredcites →https://doi.org/10.1007/s10955-011-0312-xopenalex-snapshot
Statistical Physics Problems in Adaptive Resolution Computer Simulations of Complex Fluids
inferredcites →https://doi.org/10.1016/0010-4655(94)90210-0openalex-snapshot
An algorithm for the semi-grand-canonical simulation of asymmetric polymer mixtures
inferredcites →https://doi.org/10.1016/0263-7855(96)00018-5openalex-snapshot
VMD: Visual molecular dynamics
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Preferential Interactions between Small Solutes and the Protein Backbone: A Computational Analysis
inferredcites →https://doi.org/10.1021/ct200706fopenalex-snapshot
Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS
inferredcites →https://doi.org/10.1021/ct200709hopenalex-snapshot
Kirkwood–Buff Analysis of Liquid Mixtures in an Open Boundary Simulation
inferredcites →https://doi.org/10.1021/ct300253nopenalex-snapshot
Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach
inferredcites →https://doi.org/10.1021/ct900369wopenalex-snapshot
Versatile Object-Oriented Toolkit for Coarse-Graining Applications
inferredcites →https://doi.org/10.1021/j100308a038openalex-snapshot
The missing term in effective pair potentials
inferredcites →https://doi.org/10.1021/ja202849aopenalex-snapshot
Effect of Urea on the β-Hairpin Conformational Ensemble and Protein Denaturation Mechanism
inferredcites →https://doi.org/10.1021/jp105160aopenalex-snapshot
Comment on “Urea-Mediated Protein Denaturation: A Consensus View”
inferredcites →https://doi.org/10.1021/jp212357nopenalex-snapshot
Molecular Dynamics and Experimental Study of Conformation Change of Poly( N -isopropylacrylamide) Hydrogels in Mixtures of Water and Methanol
inferredcites →https://doi.org/10.1021/jz301992uopenalex-snapshot
Kirkwood–Buff Integrals for Finite Volumes
inferredcites →https://doi.org/10.1021/ma00004a022openalex-snapshot
Cononsolvency in mixed aqueous solutions of poly(N-isopropylacrylamide)
inferredcites →https://doi.org/10.1021/ma00007a017openalex-snapshot
Coil-globule type transitions in polymers. 2. Theory of coil-globule transition in linear macromolecules
inferredcites →https://doi.org/10.1021/ma300729zopenalex-snapshot
Study of the Polymer Length Dependence of the Single Chain Transition Temperature in Syndiotactic Poly(N-isopropylacrylamide) Oligomers in Water
inferredcites →https://doi.org/10.1021/ma401665hopenalex-snapshot
Co-Nonsolvency of Poly( n -isopropylacrylamide) in Deuterated Water/Ethanol Mixtures
inferredcites →https://doi.org/10.1021/ma971873popenalex-snapshot
Comparison of the Coil-to-Globule and the Globule-to-Coil Transitions of a Single Poly(N-isopropylacrylamide) Homopolymer Chain in Water
inferredcites →https://doi.org/10.1063/1.1748352openalex-snapshot
The Statistical Mechanical Theory of Solutions. I
inferredcites →https://doi.org/10.1063/1.2132286openalex-snapshot
Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly
inferredcites →https://doi.org/10.1063/1.2890729openalex-snapshot
Concurrent triple-scale simulation of molecular liquids
inferredcites →https://doi.org/10.1063/1.448118openalex-snapshot
Molecular dynamics with coupling to an external bath
inferredcites →https://doi.org/10.1073/pnas.0507053102openalex-snapshot
Predicting the energetics of osmolyte-induced protein folding/unfolding
inferredcites →https://doi.org/10.1073/pnas.0902904106openalex-snapshot
Cation specific binding with protein surface charges
inferredcites →https://doi.org/10.1073/pnas.0930122100openalex-snapshot
The molecular basis for the chemical denaturation of proteins by urea
inferredcites →https://doi.org/10.1073/pnas.1109372108openalex-snapshot
Quantifying why urea is a protein denaturant, whereas glycine betaine is a protein stabilizer
inferredcites →https://doi.org/10.1093/oso/9780199299690.001.0001openalex-snapshot
Molecular Theory of Solutions
inferredcites →https://doi.org/10.1103/physrevlett.108.170602openalex-snapshot
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
inferredcites →https://doi.org/10.1103/physrevlett.110.108301openalex-snapshot
Hamiltonian Adaptive Resolution Simulation for Molecular Liquids
inferredcites →https://doi.org/10.1103/physrevlett.86.822openalex-snapshot
Reentrant Coil-to-Globule-to-Coil Transition of a Single Linear Homopolymer Chain in a Water / Methanol Mixture
inferredcites →https://doi.org/10.1146/annurev.physchem.59.032607.093707openalex-snapshot
Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution
inferredcites →https://doi.org/10.1371/journal.pcbi.1000221openalex-snapshot
Polar or Apolar—The Role of Polarity for Urea-Induced Protein Denaturation
inferredcites →https://doi.org/10.1529/biophysj.105.067330openalex-snapshot
Protein Folding, Stability, and Solvation Structure in Osmolyte Solutions
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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All-atom molecular dynamics simulation of acrylamide-based triblock copolymers with thermal responsive end blocks in a mixed salt solution containing divalent cations
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Molecular description of the coil-to-globule transition of Poly(N-isopropylacrylamide) in water/ethanol mixture at low alcohol concentration
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The confinement of PVP in AOT microemulsions: Effect of water content and PVP concentration regime on electrical percolation phenomenon
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Molecular systems with open boundaries: Theory and simulation
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Cononsolvency of mono- and di-alkyl N-substituted poly(acrylamide)s and poly(vinyl caprolactam)
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Tunable friction by employment of co-non-solvency of PNIPAM brushes
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Conformational transitions of poly(ethylene oxide) in supersonic jets of supercritical CO2
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Fundamentals and Effects of Biomimicking Stimuli-Responsive Polymers for Engineering Functions
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Extending Hamiltonian-Adaptive Resolution Simulation to Interfaces: An Updated LAMMPS Implementation and Application to Porous Solids
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From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations
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Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions
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Racemic Fluorescence Probe for Enantiomeric Excess Determination: Application of Cononsolvency of a Polymer in Sensing
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Mechanism of Polymer Collapse in Miscible Good Solvents
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Molecular Dynamics Simulations of Concentrated and Dilute Aqueous Solutions of Poly(N-Isopropylacrylamide) Using a Modified OPLS-AA Model
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Molecular Modeling of Water Interfaces: From Molecular Spectroscopy to Thermodynamics
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Relation Between Solvent Quality and Phase Behavior of Ternary Mixtures of Polymers and Two Solvents that Exhibit Cononsolvency
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Free Energy of Nanoparticle Binding to Multivalent Polymeric Substrates
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The Hydrophobic Effect and the Role of Cosolvents
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Transfer Free Energies and Partitioning of Small Molecules in Collapsed PNIPAM Polymers
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Improved Temperature Behavior of PNIPAM in Water with a Modified OPLS Model
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Visualization of Acoustic Energy Absorption in Confined Aqueous Solutions by PNIPAM Microgels: Effects of Bulk Viscosity
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Possible Way to Study Cononsolvency in Confinement: A Lattice Density Functional Theory Approach
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Co-Nonsolvency Effect in Solutions of Poly(methyl methacrylate)-b-poly(N-isopropylacrylamide) Diblock Copolymers in Water/Methanol Mixtures
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Solvation Behavior of Poly(sulfobetaine)-Based Diblock Copolymer Thin Films in Mixed Water/Methanol Vapors
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Conformation Transition of a Homopolymer Chain in Binary Mixed Solvents
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General Condition for Polymer Cononsolvency in Binary Mixed Solvents
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Dimethylformamide-Mediated Polymer Microstructure Dictates the Extensional Rheology of Aqueous PNIPAM Solutions
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Hydrogen Bonding Mechanism in Cononsolvency
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Re-entrance of Poly(N,N-diethylacrylamide) in D2O/d-Ethanol Mixture at 27 °C
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Adsorption–Attraction Model for Co-Nonsolvency in Polymer Brushes
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Effect of Temperature on the Cononsolvency of Poly(N-isopropylacrylamide) (PNIPAM) in Aqueous 1-Propanol
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Polymer collapse in miscible good solvents is a generic phenomenon driven by preferential adsorption
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Depleted depletion drives polymer swelling in poor solvent mixtures
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A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents
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On the urea induced hydrophobic collapse of a water soluble polymer
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Co-nonsolvency of PNiPAM at the transition between solvation mechanisms
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Why does high pressure destroy co-non-solvency of PNIPAm in aqueous methanol?
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Open boundary molecular dynamics of sheared star-polymer melts
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An alternative explanation of the cononsolvency of poly(N-isopropylacrylamide) in water–methanol solutions
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Stabilizing effect of TMAO on globular PNIPAM states: preferential attraction induces preferential hydration
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Pick up, move and release of nanoparticles utilizing co-non-solvency of PNIPAM brushes
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Cononsolvency in the ‘drunken’ state: the thermoresponsiveness of a new acrylamide copolymer in water–alcohol mixtures
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Relating side chain organization of PNIPAm with its conformation in aqueous methanol
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Comment on “Relating side chain organization of PNIPAm with its conformation in aqueous methanol” by D. Mukherji, M. Wagner, M. D. Watson, S. Winzen, T. E. de Oliveira, C. M. Marques and K. Kremer, Soft Matter, 2016, 12 , 7995
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Reply to the ‘Comment on “Relating side chain organization of PNIPAm with its conformation in aqueous methanol”’ by N. van der Vegt and F. Rodriguez-Ropero, Soft Matter, 2017, 13 , DOI: 10.1039/C6SM02139E
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Statistical description of co-nonsolvency suppression at high pressures
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Reply to the ‘Comment on “Relating side chain organization of PNIPAm with its conformation in aqueous methanol”’ by A. Pica and G. Graziano, Soft Matter, 2017, 13 , DOI: 10.1039/C7SM01065F
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Molecular dynamics study of the LCST transition in aqueous poly( N-n -propylacrylamide)
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Hydrogen bonding reinforcement as a strategy to improve upper critical solution temperature of poly( N -acryloylglycinamide- co -methacrylic acid)
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The role of osmolytes in the temperature-triggered conformational transition of poly( N -vinylcaprolactam): an experimental and computational study
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Modeling of stimuli-responsive nanoreactors: rational rate control towards the design of colloidal enzymes
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Many-chain effects on the co-nonsolvency of polymer brushes in a good solvent mixture
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A coil-to-globule transition capable coarse-grained model for poly( N -isopropylacrylamide)
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A unified understanding of the cononsolvency of polymers in binary solvent mixtures
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Cononsolvency of thermoresponsive polymers: where we are now and where we are going
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Role of interaction anisotropy in polymer cononsolvency: insights from the Flory–Huggins–Potts framework
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Sequence-defined phase behavior of poly( N -isopropylacrylamide- co -acrylamide) in water
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Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents
inferred← citeshttps://doi.org/10.1063/1.4917200openalex-snapshot
Molecular dynamics simulations of solutions at constant chemical potential
inferred← citeshttps://doi.org/10.1063/1.4921347openalex-snapshot
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties
inferred← citeshttps://doi.org/10.1063/1.4923008openalex-snapshot
Adaptive resolution simulation of polarizable supramolecular coarse-grained water models
inferred← citeshttps://doi.org/10.1063/1.4932061openalex-snapshot
Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory
inferred← citeshttps://doi.org/10.1063/1.4947253openalex-snapshot
C –IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids
inferred← citeshttps://doi.org/10.1063/1.4959169openalex-snapshot
The relative entropy is fundamental to adaptive resolution simulations
inferred← citeshttps://doi.org/10.1063/1.4964779openalex-snapshot
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations
inferred← citeshttps://doi.org/10.1063/1.4972014openalex-snapshot
Adaptive resolution simulation of oligonucleotides
inferred← citeshttps://doi.org/10.1063/1.4974165openalex-snapshot
Effects of stereochemistry and copolymerization on the LCST of PNIPAm
inferred← citeshttps://doi.org/10.1063/1.4997638openalex-snapshot
Sequence transferable coarse-grained model of amphiphilic copolymers
inferred← citeshttps://doi.org/10.1063/1.5012838openalex-snapshot
Kosmotropic effect leads to LCST decrease in thermoresponsive polymer solutions
inferred← citeshttps://doi.org/10.1063/1.5143268openalex-snapshot
Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations
inferred← citeshttps://doi.org/10.1063/5.0046746openalex-snapshot
An interplay of excluded-volume and polymer–(co)solvent attractive interactions regulates polymer collapse in mixed solvents
inferred← citeshttps://doi.org/10.1063/5.0057065openalex-snapshot
Vapor sorption in binary polymer brushes: The effect of the polymer–polymer interface
inferred← citeshttps://doi.org/10.1063/5.0076744openalex-snapshot
Connecting density fluctuations and Kirkwood–Buff integrals for finite-size systems
inferred← citeshttps://doi.org/10.1063/5.0243895openalex-snapshot
Density fluctuations, solvation thermodynamics, and coexistence curves in grand canonical molecular dynamics simulations
inferred← citeshttps://doi.org/10.1063/5.0268339openalex-snapshot
Theoretical investigation on the conformation of polymer brushes in mixtures of binary solvents
inferred← citeshttps://doi.org/10.1063/5.0316628openalex-snapshot
Gluonic and regulatory solvents and another type of LCST-transition
inferred← citeshttps://doi.org/10.1063/5.0325441openalex-snapshot
Thermoresponsivity and cononsolvency of a minimal polymer model in mixed solvents
inferred← citeshttps://doi.org/10.1080/00268976.2018.1482429openalex-snapshot
Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations
inferred← citeshttps://doi.org/10.1088/1361-648x/aa9c77openalex-snapshot
Collapse in two good solvents, swelling in two poor solvents: defying the laws of polymer solubility?
inferred← citeshttps://doi.org/10.1088/1361-648x/aa9f56openalex-snapshot
Flory-type theories of polymer chains under different external stimuli
inferred← citeshttps://doi.org/10.1088/1361-648x/abed1dopenalex-snapshot
Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method
inferred← citeshttps://doi.org/10.1088/1742-5468/2016/10/103211openalex-snapshot
On a new application of the path integrals in polymer statistical physics
inferred← citeshttps://doi.org/10.1088/1742-6596/2307/1/012042openalex-snapshot
Study of the molecular dynamics of p-NIPAM in electrolytic media
inferred← citeshttps://doi.org/10.1088/2053-1591/ac8d4eopenalex-snapshot
Design of acrylamide-based thermoresponsive copolymer with potential capability for physical network formation in water: a molecular dynamics study
inferred← citeshttps://doi.org/10.1098/rsfs.2018.0085openalex-snapshot
From quantum to subcellular scales: multi-scale simulation approaches and the SIRAH force field
inferred← citeshttps://doi.org/10.1103/physreve.94.023309openalex-snapshot
Simulation of macromolecular liquids with the adaptive resolution molecular dynamics technique
inferred← citeshttps://doi.org/10.1103/physrevmaterials.6.025606openalex-snapshot
Thermodynamics, morphology, mechanics, and thermal transport of PMMA-PLA blends
inferred← citeshttps://doi.org/10.1134/s181123821701009xopenalex-snapshot
How does poly(N-isopropylacrylamide) trigger phase separation in aqueous alcohol?
inferred← citeshttps://doi.org/10.1140/epjb/s10051-021-00193-wopenalex-snapshot
From adaptive resolution to molecular dynamics of open systems
inferred← citeshttps://doi.org/10.1140/epjst/e2015-02415-xopenalex-snapshot
Open boundary molecular dynamics
inferred← citeshttps://doi.org/10.1140/epjst/e2018-800171-yopenalex-snapshot
Studying equilibria of polymers in solution by direct molecular dynamics simulations: poly(N-isopropylacrylamide) in water as a test case
inferred← citeshttps://doi.org/10.1146/annurev-conmatphys-031119-050618openalex-snapshot
Smart Responsive Polymers: Fundamentals and Design Principles
inferred← citeshttps://doi.org/10.1209/0295-5075/108/30007openalex-snapshot
A unified framework for force-based and energy-based adaptive resolution simulations
inferred← citeshttps://doi.org/10.1209/0295-5075/114/46004openalex-snapshot
A statistical theory of coil-to-globule-to-coil transition of a polymer chain in a mixture of good solvents
inferred← citeshttps://doi.org/10.3390/e16084199openalex-snapshot
Computer Simulations of Soft Matter: Linking the Scales
inferred← citeshttps://doi.org/10.3390/e20040222openalex-snapshot
Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method
inferred← citeshttps://doi.org/10.3390/gels8100628openalex-snapshot
Frequency-Dependent Ultrasonic Stimulation of Poly(N-Isopropylacrylamide) Microgels in Water
inferred← citeshttps://doi.org/10.3390/ma11060991openalex-snapshot
Cononsolvency Transition of Polymer Brushes: A Combined Experimental and Theoretical Study
inferred← citeshttps://doi.org/10.3390/molecules31101657openalex-snapshot
Computational Insights into Selective Water–Methanol Transport in rGO/PSS Composite Films
inferred← citeshttps://doi.org/10.3390/polym10090978openalex-snapshot
Nanomechanics and Nanorheology of Microgels at Interfaces
inferred← citeshttps://doi.org/10.3390/polym15153229openalex-snapshot
Smart Polymers for Soft Materials: From Solution Processing to Organic Solids
inferred← citeshttps://doi.org/10.3390/polym9010016openalex-snapshot
A Review of Multiscale Computational Methods in Polymeric Materials
inferred← citeshttps://doi.org/10.3990/1.9789036549318openalex-snapshot
Multifunctional, complex polymers for functional and stimuli-responsive coatings
inferred← citeshttps://doi.org/10.7868/s2308114717010137openalex-snapshot
How does Poly(N-isopropylacrylamide) Trigger Phase Separation in Aqueous Alcohol?1, "Высокомолекулярные соединения. Серия С"
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