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Two decades of Martini: Better beads, broader scope
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …
been around for nearly two decades. Originally developed for lipid‐based systems by the …
Targeting SLC transporters: small molecules as modulators and therapeutic opportunities
Solute carrier (SLCs) transporters mediate the transport of a broad range of solutes across
biological membranes. Dysregulation of SLCs has been associated with various …
biological membranes. Dysregulation of SLCs has been associated with various …
Sampling alternative conformational states of transporters and receptors with AlphaFold2
Equilibrium fluctuations and triggered conformational changes often underlie the functional
cycles of membrane proteins. For example, transporters mediate the passage of molecules …
cycles of membrane proteins. For example, transporters mediate the passage of molecules …
Flexible modulation of cellular activities with cationic photosensitizers: insights of alkyl chain length on reactive oxygen species antimicrobial mechanisms
L Zheng, Y Zhu, Y Sun, S ** and regulation of cell surface receptors hold immense significance in
disease treatment, such as cancer, infection, and neurodisorders, but also face enormous …
disease treatment, such as cancer, infection, and neurodisorders, but also face enormous …
Simulation of nanoparticles interacting with a cell membrane: probing the structural basis and potential biomedical application
X Zhang, G Ma, W Wei - NPG Asia Materials, 2021 - nature.com
Nanoparticles (NPs), owing to their ultrasmall size, have been extensively researched for
potential applications in biomedicine. During their delivery and functionalization within the …
potential applications in biomedicine. During their delivery and functionalization within the …
[HTML][HTML] Lipid membrane mimetics in functional and structural studies of integral membrane proteins
Background: Open Access Editor's Choice Review Lipid Membrane Mimetics in Functional
and Structural Studies of Integral Membrane Proteins by Saman Majeed 1, Akram Bani …
and Structural Studies of Integral Membrane Proteins by Saman Majeed 1, Akram Bani …
Generalized correlation-based dynamical network analysis: a new high-performance approach for identifying allosteric communications in molecular dynamics …
Molecular interactions are essential for regulation of cellular processes from the formation of
multi-protein complexes to the allosteric activation of enzymes. Identifying the essential …
multi-protein complexes to the allosteric activation of enzymes. Identifying the essential …
Atomistic simulations of membrane ion channel conduction, gating, and modulation
Membrane ion channels are the fundamental electrical components in the nervous system.
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …
Recent developments in X-ray crystallography and cryo-EM microscopy have revealed what …