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Journal Articles

Dimensional confinement and superdiffusive rotational motion of uniaxial colloids in the presence of cylindrical obstacles

Vikki Anand Varma, Sujin B. Babu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 014901 (2025)
https://doi.org/10.1063/5.0238648
Published: January 2025
View article titled, Dimensional confinement and superdiffusive rotational motion of uniaxial colloids in the presence of cylindrical obstacles
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Journal Articles

Decomposition of friction coefficients to analyze hydration effects on a C60(OH)n

Tomoya Iwashita, Yuki Uematsu, Masahide Terazima, Ryo Akiyama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244907 (2024)
https://doi.org/10.1063/5.0241914
Published: December 2024
View article titled, Decomposition of friction coefficients to analyze hydration effects on a C<sub>60</sub>(OH)<sub>n</sub>
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Journal Articles

Conformation and topology of cyclical star polymers

Davide Breoni, Emanuele Locatelli, Luca Tubiana
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 214903 (2024)
https://doi.org/10.1063/5.0240486
Published: December 2024
View article titled, Conformation and topology of cyclical star polymers
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Journal Articles

When can flexible weak polyelectrolytes be treated as effective rigid objects?

Javier Orradre, Pablo M. Blanco, Sergio Madurga, Francesc Mas, Josep Lluís Garcés
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204906 (2024)
https://doi.org/10.1063/5.0233986
Published: November 2024
View article titled, When can flexible weak polyelectrolytes be treated as effective rigid objects?
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Journal Articles

SAXS, DLS, and MD studies of the Rg/Rh ratio for swollen and collapsed dendrimers

Nadezhda N. Sheveleva, Petr V. Konarev, Konstantin M. Boyko, Irina I. Tarasenko, Mariya E. Mikhailova, Valeriy V. Bezrodnyi, Oleg V. Shavykin, Igor M. Neelov, Denis A. Markelov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194901 (2024)
https://doi.org/10.1063/5.0234864
Published: November 2024
View article titled, SAXS, DLS, and MD studies of the <em>R</em><sub>g</sub>/<em>R</em><sub>h</sub> ratio for swollen and collapsed dendrimers
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Journal Articles

Chemically reactive and aging macromolecular mixtures. II. Phase separation and coarsening

Ruoyao Zhang, Sheng Mao, Mikko P. Haataja
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184903 (2024)
https://doi.org/10.1063/5.0196794
Published: November 2024
View article titled, Chemically reactive and aging macromolecular mixtures. II. Phase separation and coarsening
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Journal Articles

Exploring the molecular pathways of the activation process in PPARγ recurrent bladder cancer mutants

Vinícius M. de Oliveira, Caique C. Malospirito, Fernando B. da Silva, Natália B. Videira, Marieli M. G. Dias, Murilo N. Sanches, Vitor B. P. Leite, Ana Carolina M. Figueira
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 165102 (2024)
https://doi.org/10.1063/5.0232041
Published: October 2024
View article titled, Exploring the molecular pathways of the activation process in PPAR<em>γ</em> recurrent bladder cancer mutants
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Journal Articles

Adaptive resolution force probe simulations: Coarse graining in the ideal gas approximation

Marco Oestereich, Jürgen Gauss, Gregor Diezemann
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154903 (2024)
https://doi.org/10.1063/5.0228198
Published: October 2024
View article titled, Adaptive resolution force probe simulations: Coarse graining in the ideal gas approximation
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Journal Articles

Collective behavior of active filaments with homogeneous and heterogeneous stiffness

Chaonan Zhao, Ran Yan, Nanrong Zhao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 154901 (2024)
https://doi.org/10.1063/5.0225429
Published: October 2024
View article titled, Collective behavior of active filaments with homogeneous and heterogeneous stiffness
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Journal Articles

Topological comparison of flexible and semiflexible chains in polymer melts with θ-chains

Maurice P. Schmitt, Sarah Wettermann, Kostas Ch. Daoulas, Hendrik Meyer, Peter Virnau
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 144904 (2024)
https://doi.org/10.1063/5.0228826
Published: October 2024
View article titled, Topological comparison of flexible and semiflexible chains in polymer melts with <em>θ</em>-chains
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Journal Articles

The presence of nanoparticles in aqueous droplets containing plant-derived biopolymers plays a role in heterogeneous ice nucleation

Paul Bieber, Ghinwa H. Darwish, W. Russ Algar, Nadine Borduas-Dedekind
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094304 (2024)
https://doi.org/10.1063/5.0213171
Published: September 2024
View article titled, The presence of nanoparticles in aqueous droplets containing plant-derived biopolymers plays a role in heterogeneous ice nucleation
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Journal Articles

Diffusion of proteins in crowded solutions studied by docking-based modeling

Amar Singh, Petras J. Kundrotas, Ilya A. Vakser
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 095101 (2024)
https://doi.org/10.1063/5.0220545
Published: September 2024
View article titled, Diffusion of proteins in crowded solutions studied by docking-based modeling
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Journal Articles

Dynamics of side chains in poly(quinoxaline-2,3-diyl)s studied via quasielastic neutron scattering

R. Inoue, Y. Nagata, T. Tominaga, S. Sato, Y. Kawakita, T. Yamawaki, K. Morishima, M. Suginome, M. Sugiyama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054905 (2024)
https://doi.org/10.1063/5.0215603
Published: August 2024
View article titled, Dynamics of side chains in poly(quinoxaline-2,3-diyl)s studied via quasielastic neutron scattering
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Journal Articles

Molecular structure refinement based on residual dipolar couplings using magnetic-field rotational sampling

Maria Pechlaner, Wilfred F. van Gunsteren, Lorna J. Smith, Niels Hansen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044122 (2024)
https://doi.org/10.1063/5.0203153
Published: July 2024
View article titled, Molecular structure refinement based on residual dipolar couplings using magnetic-field rotational sampling
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Journal Articles

Equilibration of linear polyethylene melts with pre-defined molecular weight distributions employing united atom Monte Carlo simulations

Dimitrios-Paraskevas Gerakinis, Stefanos D. Anogiannakis, Doros N. Theodorou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 044901 (2024)
https://doi.org/10.1063/5.0219728
Published: July 2024
View article titled, Equilibration of linear polyethylene melts with pre-defined molecular weight distributions employing united atom Monte Carlo simulations
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Journal Articles

Unlocking the unfolded structure of ubiquitin: Combining time-resolved x-ray solution scattering and molecular dynamics to generate unfolded ensembles

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Adam K. Nijhawan, Denis Leshchev, Darren J. Hsu, Arnold M. Chan, Dolev Rimmerman, Jiyun Hong, Irina Kosheleva, Robert Henning, Kevin L. Kohlstedt, Lin X. Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 035101 (2024)
https://doi.org/10.1063/5.0217013
Published: July 2024