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Journal Articles

Phase behavior and dissociation kinetics of lamins in a polymer model of progeria

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Hadiya Abdul Hameed, Jarosław Paturej, Aykut Erbaş
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 185101 (2025)
https://doi.org/10.1063/5.0265578
Published: May 2025
View articletitled, Phase behavior and dissociation kinetics of lamins in a polymer model of progeria
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Journal Articles

Why do histone monomethylation and dimethylation cause a significant difference in binding to LEDGF?

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Hinako X. Suzuki, Hisashi Okumura, Satoru G. Itoh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 185102 (2025)
https://doi.org/10.1063/5.0259337
Published: May 2025
View articletitled, Why do histone monomethylation and dimethylation cause a significant difference in binding to LEDGF?
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Journal Articles

Protein solvation: Site-specific hydrophilicity, hydrophobicity, counter ions, and interaction entropy

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Chao Zhang, Kaifang Huang, John Z. H. Zhang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 114103 (2025)
https://doi.org/10.1063/5.0249685
Published: March 2025
View articletitled, Protein solvation: Site-specific hydrophilicity, hydrophobicity, counter ions, and interaction entropy
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Journal Articles

The first step of cyanine dye self-assembly: Dimerization

Open Access
Mónica K. Espinoza Cangahuala, Sundar Raj Krishnaswamy, Alexey V. Kuevda, Maxim S. Pshenichnikov, Thomas L. C. Jansen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 054311 (2025)
https://doi.org/10.1063/5.0237531
Published: February 2025
View articletitled, The first step of cyanine dye self-assembly: Dimerization
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Journal Articles

Oxygen K-edge inner-shell calculations of polymers in solutions realized by the extraction of local structures from molecular dynamics simulations

Open Access
Masanari Nagasaka, Yifeng Yao, Kenji Mochizuki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 054901 (2025)
https://doi.org/10.1063/5.0245456
Published: February 2025
View articletitled, Oxygen K-edge inner-shell calculations of polymers in solutions realized by the extraction of local structures from molecular dynamics simulations
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Journal Articles

Biodegradable Tenebrio molitor antifreeze protein modified kinetic hydrate inhibitor: Insights into molecular interactions and structural flexibility

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Nan Zhang, Hui-Yi Huang, Yan-Nan Li, Li-Rong Zhang, Jun-Jie Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 024701 (2025)
https://doi.org/10.1063/5.0245132
Published: January 2025
View articletitled, Biodegradable Tenebrio molitor antifreeze protein modified kinetic hydrate inhibitor: Insights into molecular interactions and structural flexibility
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Journal Articles

Force of adhesion between droplets and super-hydrophobic surfaces: Closed-form analytical expressions

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Juan V. Escobar
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 244701 (2024)
https://doi.org/10.1063/5.0243873
Published: December 2024
View articletitled, Force of adhesion between droplets and super-hydrophobic surfaces: Closed-form analytical expressions
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Journal Articles

The nature of the hydrophobic interaction varies as the solute size increases from methane’s to C60’s

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Hidefumi Naito, Tomonari Sumi, Kenichiro Koga
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 214501 (2024)
https://doi.org/10.1063/5.0233808
Published: December 2024
View articletitled, The nature of the hydrophobic interaction varies as the solute size increases from methane’s to C60’s
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Journal Articles

Sub-ambient water wettability of hydrophilic and hydrophobic SiO2 surfaces

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Jianghui Liu, Haishan Cao
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 184701 (2024)
https://doi.org/10.1063/5.0236994
Published: November 2024
View articletitled, Sub-ambient water wettability of hydrophilic and hydrophobic SiO2 surfaces
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Journal Articles

Investigating the self-assembly of pH-sensitive switchable diamine surfactant using sum frequency generation spectroscopy and molecular dynamics simulations

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Tharushi D. Ambagaspitiya, Danielle John C. Garza, Aoife Zuercher, Katherine Leslee Asetre Cimatu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 164709 (2024)
https://doi.org/10.1063/5.0230410
Published: October 2024
View articletitled, Investigating the self-assembly of pH-sensitive switchable diamine surfactant using sum frequency generation spectroscopy and molecular dynamics simulations
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Journal Articles

Self-organizing maps of unbiased ligand–target binding pathways and kinetics

Open Access
Lara Callea, Camilla Caprai, Laura Bonati, Toni Giorgino, Stefano Motta
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 135102 (2024)
https://doi.org/10.1063/5.0225183
Published: October 2024
View articletitled, Self-organizing maps of unbiased ligand–target binding pathways and kinetics
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Journal Articles

Nonlinear composition dependence of hydrogen bond lifetime in water–DMSO binary mixtures: The role of hydrophobic interaction

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Sangita Mondal, Biman Bagchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 024502 (2024)
https://doi.org/10.1063/5.0213536
Published: July 2024
View articletitled, Nonlinear composition dependence of hydrogen bond lifetime in water–DMSO binary mixtures: The role of hydrophobic interaction
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Journal Articles

Deciphering the guanidinium cation: Insights into thermal diffusion

Open Access
Binny A. Rudani, Andre Jakubowski, Hartmut Kriegs, Simone Wiegand
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214502 (2024)
https://doi.org/10.1063/5.0215843
Published: June 2024
View articletitled, Deciphering the guanidinium cation: Insights into thermal diffusion
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Journal Articles

Interactions of adsorbing cosolutes with hydrophobic hydration shells

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Swaminath Bharadwaj, Madhusmita Tripathy, Nico F. A. van der Vegt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 164902 (2024)
https://doi.org/10.1063/5.0207075
Published: April 2024
View articletitled, Interactions of adsorbing cosolutes with hydrophobic hydration shells
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Includes: Supplementary data
Journal Articles

Responses of assembled structures of block polyelectrolytes to electrostatic interaction strength

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Fujia Wang, Xinyi Liu, Wei Yang, Yao Chen, Liyan Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144903 (2024)
https://doi.org/10.1063/5.0194617
Published: April 2024
View articletitled, Responses of assembled structures of block polyelectrolytes to electrostatic interaction strength
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Includes: Supplementary data
Journal Articles

Influence of hydrophobic moieties on the crystallization of amphiphilic DNA nanostructures

ScilightOpen Access
Michal Walczak, Ryan A. Brady, Adrian Leathers, Jurij Kotar, Lorenzo Di Michele
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 084501 (2023)
https://doi.org/10.1063/5.0132484
Published: February 2023
View articletitled, Influence of hydrophobic moieties on the crystallization of amphiphilic DNA nanostructures
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Includes: Supplementary data
Journal Articles

Carbon K-edge x-ray absorption spectra of liquid alcohols from quantum chemical calculations of liquid structures obtained by molecular dynamics simulations

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Masanari Nagasaka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 024501 (2023)
https://doi.org/10.1063/5.0131017
Published: January 2023
View articletitled, Carbon K-edge x-ray absorption spectra of liquid alcohols from quantum chemical calculations of liquid structures obtained by molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

A unique piezolyte mechanism of TMAO: Hydrophobic interactions under extreme pressure conditions

Open Access
Angelina Folberth, Nico F. A. van der Vegt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 201101 (2022)
https://doi.org/10.1063/5.0112485
Published: November 2022
View articletitled, A unique piezolyte mechanism of TMAO: Hydrophobic interactions under extreme pressure conditions
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Includes: Supplementary data
Journal Articles

Molecular dynamics simulations of interfacial structure, dynamics, and interfacial tension of tetrabutylammonium bromide aqueous solution in the presence of methane and carbon dioxide

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Parisa Naeiji, Tom K. Woo, Ryo Ohmura, Saman Alavi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 154702 (2022)
https://doi.org/10.1063/5.0106707
Published: October 2022
View articletitled, Molecular dynamics simulations of interfacial structure, dynamics, and interfacial tension of tetrabutylammonium bromide aqueous solution in the presence of methane and carbon dioxide
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Includes: Supplementary data
Journal Articles

Different temperature- and pressure-effects on the water-mediated interactions between hydrophobic, hydrophilic, and hydrophobic–hydrophilic nanoscale surfaces

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Justin Engstler, Nicolas Giovambattista
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 064701 (2022)
https://doi.org/10.1063/5.0097908
Published: August 2022
View articletitled, Different temperature- and pressure-effects on the water-mediated interactions between hydrophobic, hydrophilic, and hydrophobic–hydrophilic nanoscale surfaces
Open the PDF for Different temperature- and pressure-effects on the water-mediated interactions between hydrophobic, hydrophilic, and hydrophobic–hydrophilic nanoscale surfaces in another window
Includes: Supplementary data