Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
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 …

Perspective on the Martini model

SJ Marrink, DP Tieleman - Chemical Society Reviews, 2013 - pubs.rsc.org
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 …

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 …

The power of coarse graining in biomolecular simulations

HI Ingólfsson, CA Lopez, JJ Uusitalo… - Wiley …, 2014 - Wiley Online Library
Computational modeling of biological systems is challenging because of the multitude of
spatial and temporal scales involved. Replacing atomistic detail with lower resolution …

Immunogene therapy with fusogenic nanoparticles modulates macrophage response to Staphylococcus aureus

B Kim, HB Pang, J Kang, JH Park, E Ruoslahti… - Nature …, 2018 - nature.com
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 …

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 …

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 …

[HTML][HTML] Computer simulations of lipid membrane domains

WFD Bennett, DP Tieleman - Biochimica et Biophysica Acta (BBA) …, 2013 - Elsevier
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 …

[HTML][HTML] DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations

Y Wang, P Gkeka, JE Fuchs, KR Liedl… - Biochimica et Biophysica …, 2016 - Elsevier
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 …

[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 …