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Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …
composition and structure, functional over a wide range of time scales, and characterized by …
Perspective on the Martini model
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …
broad range of applications since its release a decade ago. Based on a building block …
Improved parameters for the martini coarse-grained protein force field
DH De Jong, G Singh, WFD Bennett… - Journal of chemical …, 2013 - ACS Publications
The Martini coarse-grained force field has been successfully used for simulating a wide
range of (bio) molecular systems. Recent progress in our ability to test the model against …
range of (bio) molecular systems. Recent progress in our ability to test the model against …
The power of coarse graining in biomolecular simulations
Computational modeling of biological systems is challenging because of the multitude of
spatial and temporal scales involved. Replacing atomistic detail with lower resolution …
spatial and temporal scales involved. Replacing atomistic detail with lower resolution …
Immunogene therapy with fusogenic nanoparticles modulates macrophage response to Staphylococcus aureus
The incidence of adverse effects and pathogen resistance encountered with small molecule
antibiotics is increasing. As such, there is mounting focus on immunogene therapy to …
antibiotics is increasing. As such, there is mounting focus on immunogene therapy to …
Theoretical and computational investigations of nanoparticle–biomembrane interactions in cellular delivery
H Ding, Y Ma - Small, 2015 - Wiley Online Library
With the rapid development of nanotechnology, nanoparticles have been widely used in
many applications such as phototherapy, cell imaging, and drug/gene delivery. A better …
many applications such as phototherapy, cell imaging, and drug/gene delivery. A better …
Brain Delivery of Protein Therapeutics by Cell Matrix‐Inspired Biomimetic Nanocarrier
J Huang, Y Fu, A Wang, K Shi, Y Peng, Y Yi… - Advanced …, 2024 - Wiley Online Library
Protein therapeutics are anticipated to offer significant treatment options for central nervous
system (CNS) diseases. However, the majority of proteins are unable to traverse the blood …
system (CNS) diseases. However, the majority of proteins are unable to traverse the blood …
[HTML][HTML] Computer simulations of lipid membrane domains
There is great diversity in the composition and structure of biological lipid membranes. We
are beginning to appreciate the crucial role of lipids in many cellular processes, and …
are beginning to appreciate the crucial role of lipids in many cellular processes, and …
[HTML][HTML] DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations
Cholesterol-phospholipid bilayers continue to be the current state of the art in membrane
models and serve as representative systems for studying the effect of cholesterol on the cell …
models and serve as representative systems for studying the effect of cholesterol on the cell …
[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 …