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Exploring the formation mechanism of ferulic acid/hydroxypropyl‐β‐cyclodextrin inclusion complex: spectral analyses and computer simulation
Exploring the formation mechanism of ferulic acid/hydroxypropyl‐β‐cyclodextrin inclusion complex: spectral analyses and computer simulation
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Exploring the formation mechanism of ferulic acid/hydroxypropyl‐β‐cyclodextrin inclusion complex: spectral analyses and computer simulation

Lv, Junli ; Tan, Mengmeng ; Zou, Jiali ; Yun, Yueying ; Ren, Yan ; Guo, Fucheng ; Wang, Guoze

Journal of the science of food and agriculture, 2024-08, Vol.104 (11), p.6584-6593 [Periódico revisado por pares]

Chichester, UK: John Wiley & Sons, Ltd

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Nonadditive ion effects on the coil-globule equilibrium of PNIPAM: a computer simulation study
Nonadditive ion effects on the coil-globule equilibrium of PNIPAM: a computer simulation study
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Nonadditive ion effects on the coil-globule equilibrium of PNIPAM: a computer simulation study

Zhao, Yani ; Bharadwaj, Swaminath ; van der Vegt, Nico F. A

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (17), p.1346-1355 [Periódico revisado por pares]

England: Royal Society of Chemistry

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3
Self-assembly in systems based on l -cysteine–silver-nitrate aqueous solution: multiscale computer simulation
Self-assembly in systems based on l -cysteine–silver-nitrate aqueous solution: multiscale computer simulation
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Self-assembly in systems based on l -cysteine–silver-nitrate aqueous solution: multiscale computer simulation

Malyshev, Maxim D. ; Khizhnyak, Svetlana D. ; Zherenkova, Lubov V. ; Pakhomov, Pavel M. ; Komarov, Pavel V.

Soft matter, 2022-10, Vol.18 (39), p.7524-7536 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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4
Microphase separation in helix-coil block copolymer melts: computer simulation
Microphase separation in helix-coil block copolymer melts: computer simulation
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Microphase separation in helix-coil block copolymer melts: computer simulation

Glagolev, M. K ; Glagoleva, A. A ; Vasilevskaya, V. V

Soft matter, 2021-09, Vol.17 (36), p.8331-8342 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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5
Estimation of the structure of binary Ag–Cu nanoparticles during their crystallization by computer simulation
Estimation of the structure of binary Ag–Cu nanoparticles during their crystallization by computer simulation
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Estimation of the structure of binary Ag–Cu nanoparticles during their crystallization by computer simulation

Gafner, Yury ; Gafner, Svetlana ; Redel, Larisa ; Poletaev, Gennady

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2023-10, Vol.25 (10), p.205, Article 205

Dordrecht: Springer Netherlands

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6
Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations
Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations
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Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations

Altintas, Cigdem ; Avci, Gokay ; Daglar, Hilal ; Gulcay-Ozcan, Ezgi ; Erucar, Ilknur ; Keskin, Seda

Journal of materials chemistry. A, Materials for energy and sustainability, 2018-04, Vol.6 (14), p.5836-5847 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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7
On the dual behaviour of water in octanol-rich aqueous n -octanol mixtures: an X-ray scattering and computer simulation study
On the dual behaviour of water in octanol-rich aqueous n -octanol mixtures: an X-ray scattering and computer simulation study
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On the dual behaviour of water in octanol-rich aqueous n -octanol mixtures: an X-ray scattering and computer simulation study

Požar, Martina ; Bolle, Jennifer ; Dogan-Surmeier, Susanne ; Schneider, Eric ; Paulus, Michael ; Sternemann, Christian ; Perera, Aurélien

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.4099-4110 [Periódico revisado por pares]

England: Royal Society of Chemistry

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8
Two statins and cromolyn as possible drugs against the cytotoxicity of Aβ(31-35) and Aβ(25-35) peptides: a comparative study by advanced computer simulation methods
Two statins and cromolyn as possible drugs against the cytotoxicity of Aβ(31-35) and Aβ(25-35) peptides: a comparative study by advanced computer simulation methods
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Two statins and cromolyn as possible drugs against the cytotoxicity of Aβ(31-35) and Aβ(25-35) peptides: a comparative study by advanced computer simulation methods

Blomgren, Fredrik ; Rodin, Alexander ; Chrobak, Wojciech ; Pacut, Dawid Wojciech ; Swenson, Jan ; Ermilova, Inna

RSC advances, 2022-04, Vol.12 (21), p.13352-13366 [Periódico revisado por pares]

England: Royal Society of Chemistry

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9
Understanding Amyloid Fibril Nucleation and Aβ Oligomer/Drug Interactions from Computer Simulations
Understanding Amyloid Fibril Nucleation and Aβ Oligomer/Drug Interactions from Computer Simulations
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Understanding Amyloid Fibril Nucleation and Aβ Oligomer/Drug Interactions from Computer Simulations

Nguyen, Phuong ; Derreumaux, Philippe

Accounts of chemical research, 2014-02, Vol.47 (2), p.603-611 [Periódico revisado por pares]

United States: American Chemical Society

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10
Glass polymorphism and liquid-liquid phase transition in aqueous solutions: experiments and computer simulations
Glass polymorphism and liquid-liquid phase transition in aqueous solutions: experiments and computer simulations
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Glass polymorphism and liquid-liquid phase transition in aqueous solutions: experiments and computer simulations

Bachler, Johannes ; Handle, Philip H ; Giovambattista, Nicolas ; Loerting, Thomas

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (42), p.23238-23268 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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