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Journal Articles

Extension of the iSoLF implicit-solvent coarse-grained model for multicomponent lipid bilayers

Diego Ugarte La Torre, Shoji Takada, Yuji Sugita
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 075101 (2023)
https://doi.org/10.1063/5.0160417
Published: August 2023
View article titled, Extension of the iSoLF implicit-solvent coarse-grained model for multicomponent lipid bilayers
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Includes: Supplementary data
Journal Articles

Shear-flow-induced negative tension of phospholipid bilayer: Molecular dynamics simulation

Taiki Shigematsu, Kenichiro Koshiyama
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 014901 (2023)
https://doi.org/10.1063/5.0153167
Published: July 2023
View article titled, Shear-flow-induced negative tension of phospholipid bilayer: Molecular dynamics simulation
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Journal Articles

Hyperscaling of the correlation length, interfacial tension, and specific heat in two-dimensional and quasi-two-dimensional liquids

J. D. Hernández Velázquez, A. Gama Goicochea
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 234702 (2023)
https://doi.org/10.1063/5.0147786
Published: June 2023
View article titled, Hyperscaling of the correlation length, interfacial tension, and specific heat in two-dimensional and quasi-two-dimensional liquids
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Journal Articles

Effect of surfactants on the elasticity of the liquid–liquid interface

Shunta Kikuchi, Hiroshi Watanabe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124901 (2023)
https://doi.org/10.1063/5.0138733
Published: March 2023
View article titled, Effect of surfactants on the elasticity of the liquid–liquid interface
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Journal Articles

Relaxation time scales of interfacial water upon fluid to ripple to gel phase transitions of bilayers

Sheeba Malik, Smarajit Karmakar, Ananya Debnath
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 114503 (2023)
https://doi.org/10.1063/5.0138681
Published: March 2023
View article titled, Relaxation time scales of interfacial water upon fluid to ripple to gel phase transitions of bilayers
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Journal Articles

Effect of surfactants on SARS-CoV-2: Molecular dynamics simulations

Marc Domingo, Jordi Faraudo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 114107 (2023)
https://doi.org/10.1063/5.0135251
Published: March 2023
View article titled, Effect of surfactants on SARS-CoV-2: Molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

Quantifying dynamical heterogeneity length scales of interface water across model membrane phase transitions

Sheeba Malik, Smarajit Karmakar, Ananya Debnath
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 091103 (2023)
https://doi.org/10.1063/5.0137727
Published: March 2023
View article titled, Quantifying dynamical heterogeneity length scales of interface water across model membrane phase transitions
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Includes: Supplementary data
Journal Articles

Effect of monolayer spontaneous curvature on constant tension-induced pore formation in lipid bilayers

Kanta Tazawa, Masahito Yamazaki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 081101 (2023)
https://doi.org/10.1063/5.0135561
Published: February 2023
View article titled, Effect of monolayer spontaneous curvature on constant tension-induced pore formation in lipid bilayers
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Includes: Supplementary data
Journal Articles

Molecular dynamics simulation of cancer cell membrane perforated by shockwave induced bubble collapse

Nguyen Hoang Linh, Viet Hoang Man, Mai Suan Li, Junmei Wang, Philippe Derreumaux, Thi Ly Mai, Phuong H. Nguyen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 225102 (2022)
https://doi.org/10.1063/5.0105675
Published: December 2022
View article titled, Molecular dynamics simulation of cancer cell membrane perforated by shockwave induced bubble collapse
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Journal Articles

TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes

Marc Siggel, Sebastian Kehl, Klaus Reuter, Jürgen Köfinger, Gerhard Hummer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 174801 (2022)
https://doi.org/10.1063/5.0101118
Published: November 2022
View article titled, TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes
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Includes: Supplementary data
Journal Articles

Coarse-grained description of monounsaturated peroxidized phospholipid bilayers

Yangyang Zhang, Donghui Liu, Yiyang Zhang, Yachong Guo, Wenfei Li, Fabrice Thalmann
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 085103 (2022)
https://doi.org/10.1063/5.0096658
Published: August 2022
View article titled, Coarse-grained description of monounsaturated peroxidized phospholipid bilayers
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Includes: Supplementary data
Journal Articles

Impact of A2T and D23N mutations on C99 homodimer conformations

Yan Lu, Freddie R. Salsbury, Jr., Philippe Derreumaux
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 085102 (2022)
https://doi.org/10.1063/5.0101622
Published: August 2022
View article titled, Impact of A2T and D23N mutations on C99 homodimer conformations
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Includes: Supplementary data
Journal Articles

Effect of solid support and membrane tension on adsorption and lateral interaction of amphipathic peptides

Oleg V. Kondrashov, Sergey A. Akimov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 074902 (2022)
https://doi.org/10.1063/5.0096536
Published: August 2022
View article titled, Effect of solid support and membrane tension on adsorption and lateral interaction of amphipathic peptides
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Journal Articles

Small ionic radii limit time step in Martini 3 molecular dynamics simulations

Balázs Fábián, Sebastian Thallmair, Gerhard Hummer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 034101 (2022)
https://doi.org/10.1063/5.0095523
Published: July 2022
View article titled, Small ionic radii limit time step in Martini 3 molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

Modes of adhesion of spherocylindrical nanoparticles to tensionless lipid bilayers

Abash Sharma, Yu Zhu, Eric J. Spangler, Mohamed Laradji
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 234901 (2022)
https://doi.org/10.1063/5.0094234
Published: June 2022
View article titled, Modes of adhesion of spherocylindrical nanoparticles to tensionless lipid bilayers
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Includes: Supplementary data
Journal Articles

Protein–water coupling tunes the anharmonicity of amide I modes in the interfacial membrane-bound proteins

Junjun Tan, Zijian Ni, Shuji Ye
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 105103 (2022)
https://doi.org/10.1063/5.0078632
Published: March 2022
View article titled, Protein–water coupling tunes the anharmonicity of amide I modes in the interfacial membrane-bound proteins
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Includes: Supplementary data
Journal Articles

Ultrafast energy transfer between self-assembled fluorophore and photosynthetic light-harvesting complex 2 (LH2) in lipid bilayer

Yusuke Yoneda, Masaya Kito, Daiki Mori, Akari Goto, Masaharu Kondo, Hiroshi Miyasaka, Yutaka Nagasawa, Takehisa Dewa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 095101 (2022)
https://doi.org/10.1063/5.0077910
Published: March 2022
View article titled, Ultrafast energy transfer between self-assembled fluorophore and photosynthetic light-harvesting complex 2 (LH2) in lipid bilayer
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Includes: Supplementary data
Journal Articles

Interfacial dynamics in inverted-headgroup lipid membranes

Euihyun Lee, Xiao You, Carlos R. Baiz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 075102 (2022)
https://doi.org/10.1063/5.0080153
Published: February 2022
View article titled, Interfacial dynamics in inverted-headgroup lipid membranes
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Includes: Supplementary data
Journal Articles

Molecular descriptors suggest stapling as a strategy for optimizing membrane permeability of cyclic peptides

Jianguo Li, Srinivasaraghavan Kannan, Pietro Aronica, Christopher J. Brown, Anthony W. Partridge, Chandra S. Verma
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 065101 (2022)
https://doi.org/10.1063/5.0078025
Published: February 2022
View article titled, Molecular descriptors suggest stapling as a strategy for optimizing membrane permeability of cyclic peptides
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Includes: Supplementary data
Journal Articles

Mixing-demixing transition and void formation in quasi-2D binary mixtures on a sphere

D. Truzzolillo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 034904 (2022)
https://doi.org/10.1063/5.0080352
Published: January 2022
View article titled, Mixing-demixing transition and void formation in quasi-2D binary mixtures on a sphere
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