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[HTML][HTML] Force field development for lipid membrane simulations
AP Lyubartsev, AL Rabinovich - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
With the rapid development of computer power and wide availability of modelling software
computer simulations of realistic models of lipid membranes, including their interactions with …
computer simulations of realistic models of lipid membranes, including their interactions with …
Defect-Mediated Trafficking across Cell Membranes: Insights from in Silico Modeling
All living cells are surrounded by plasma membranes that separate the cell interior from the
extracellular environment and are responsible for the selective permeability of cells. 1 The …
extracellular environment and are responsible for the selective permeability of cells. 1 The …
The complex nature of calcium cation interactions with phospholipid bilayers
Understanding interactions of calcium with lipid membranes at the molecular level is of great
importance in light of their involvement in calcium signaling, association of proteins with …
importance in light of their involvement in calcium signaling, association of proteins with …
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
Alkali (Li+, Na+, K+, Rb+, and Cs+) and halide (F−, Cl−, Br−, and I−) ions play an important
role in many biological phenomena, roles that range from stabilization of biomolecular …
role in many biological phenomena, roles that range from stabilization of biomolecular …
Unraveling the thermal oxidation products and peroxidation mechanisms of different chemical structures of lipids: An example of molecules containing oleic acid
Z Zhou, YL Li, F Zhao, R **n, XH Huang… - Journal of Agricultural …, 2022 - ACS Publications
Lipid structures affect lipid oxidation, causing differences in types and contents of volatiles
and nonvolatiles in various foods. In this study, the oxidation differences of monoacylglycerol …
and nonvolatiles in various foods. In this study, the oxidation differences of monoacylglycerol …
Evidence for long-term potentiation in phospholipid membranes
Biological supramolecular assemblies, such as phospholipid bilayer membranes, have
been used to demonstrate signal processing via short-term synaptic plasticity (STP) in the …
been used to demonstrate signal processing via short-term synaptic plasticity (STP) in the …
Molecular dynamics simulations of lipid membrane electroporation
The permeability of cell membranes can be transiently increased following the application of
external electric fields. Theoretical approaches such as molecular modeling provide a …
external electric fields. Theoretical approaches such as molecular modeling provide a …
Interaction of ethanol with biological membranes: the formation of non-bilayer structures within the membrane interior and their significance
To gain a better understanding of how ethanol affects biological membranes, we have
performed a series of atomic-scale molecular dynamics simulations of phospholipid …
performed a series of atomic-scale molecular dynamics simulations of phospholipid …
The contribution of lipid peroxidation to membrane permeability in electropermeabilization: A molecular dynamics study
Electroporation or electropermeabilization is a technique that enables transient increase in
the cell membrane permeability by exposing cells to pulsed electric field. However, the …
the cell membrane permeability by exposing cells to pulsed electric field. However, the …
Amphiphilic interactions of ionic liquids with lipid biomembranes: a molecular simulation study
Current bottlenecks in the large-scale commercial use of many ionic liquids (ILs) include
their high costs, low biodegradability, and often unknown toxicities. As a proactive effort to …
their high costs, low biodegradability, and often unknown toxicities. As a proactive effort to …