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Computational modeling of realistic cell membranes
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …
Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …
cell, where key processes such as selective transport of material and exchange of …
Chimeric nanobody-decorated liposomes by self-assembly
Liposomes as drug vehicles have advantages, such as payload protection, tunable carrying
capacity and improved biodistribution. However, due to the dysfunction of targeting moieties …
capacity and improved biodistribution. However, due to the dysfunction of targeting moieties …
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 multifaceted role of SNARE proteins in membrane fusion
Membrane fusion is a key process in all living organisms that contributes to a variety of
biological processes including viral infection, cell fertilization, as well as intracellular …
biological processes including viral infection, cell fertilization, as well as intracellular …
CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and Applications
Molecular dynamics simulations of membranes and membrane proteins serve as
computational microscopes, revealing coordinated events at the membrane interface. As G …
computational microscopes, revealing coordinated events at the membrane interface. As G …
Molecular machines governing exocytosis of synaptic vesicles
R Jahn, D Fasshauer - Nature, 2012 - nature.com
Calcium-dependent exocytosis of synaptic vesicles mediates the release of
neurotransmitters. Important proteins in this process have been identified such as the …
neurotransmitters. Important proteins in this process have been identified such as the …
Free energies of membrane stalk formation from a lipidomics perspective
Many biological membranes are asymmetric and exhibit complex lipid composition,
comprising hundreds of distinct chemical species. Identifying the biological function and …
comprising hundreds of distinct chemical species. Identifying the biological function and …
All-atom molecular dynamics simulations of Synaptotagmin-SNARE-complexin complexes bridging a vesicle and a flat lipid bilayer
Synaptic vesicles are primed into a state that is ready for fast neurotransmitter release upon
Ca 2+-binding to Synaptotagmin-1. This state likely includes trans-SNARE complexes …
Ca 2+-binding to Synaptotagmin-1. This state likely includes trans-SNARE complexes …