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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 …
[HTML][HTML] Computer-aided nanodrug discovery: recent progress and future prospects
JJ Zheng, QZ Li, Z Wang, X Wang, Y Zhao… - Chemical Society …, 2024 - pubs.rsc.org
Nanodrugs, which utilise nanomaterials in disease prevention and therapy, have attracted
considerable interest since their initial conceptualisation in the 1990s. Substantial efforts …
considerable interest since their initial conceptualisation in the 1990s. Substantial efforts …
Toward understanding lipid reorganization in RNA lipid nanoparticles in acidic environments
A Garaizar, D Díaz-Oviedo, N Zablowsky… - Proceedings of the …, 2024 - pnas.org
The use of lipid nanoparticles (LNPs) for therapeutic RNA delivery has gained significant
interest, particularly highlighted by recent milestones such as the approval of Onpattro and …
interest, particularly highlighted by recent milestones such as the approval of Onpattro and …
Mechanistic understanding from molecular dynamics simulation in pharmaceutical research 1: drug delivery
In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …
as a design tool in drug delivery. We cover both the pharmaceutical and computational …
[HTML][HTML] Photocatalytic nanoparticles–from membrane interactions to antimicrobial and antiviral effects
As a result of increasing resistance among pathogens against antibiotics and anti-viral
therapeutics, nanomaterials are attracting current interest as antimicrobial agents. Such …
therapeutics, nanomaterials are attracting current interest as antimicrobial agents. Such …
Fluidity-guided assembly of Au@ Pt on liposomes as a catalase-powered nanomotor for effective cell uptake in cancer cells and plant leaves
The fluidity of the liposomes is essential to nanoparticle–membrane interactions. We herein
report a liposomal nanomotor system by controlling the self-assembly behavior of gold core …
report a liposomal nanomotor system by controlling the self-assembly behavior of gold core …
[HTML][HTML] Neutron reflectometry as a powerful tool to elucidate membrane interactions of drug delivery systems
The last couple of decades have seen an explosion of novel colloidal drug delivery systems,
which have been demonstrated to increase drug efficacy, reduce side-effects, and provide …
which have been demonstrated to increase drug efficacy, reduce side-effects, and provide …
Predicting the physicochemical properties and biological activities of monolayer-protected gold nanoparticles using simulation-derived descriptors
Gold nanoparticles are versatile materials for biological applications because their
properties can be modulated by assembling ligands on their surface to form monolayers …
properties can be modulated by assembling ligands on their surface to form monolayers …
Kinetically regulated one-pot synthesis of cationic gold nanoparticles and their size-dependent antibacterial mechanism
C Shen, Y Xue, Y Li, M Wei, M Wen, L Zhang… - Journal of Materials …, 2023 - Elsevier
Cationic gold nanoparticles (cAuNPs) have been regarded as promising candidates for
antibacterial applications due to their high surface charge density, favorable …
antibacterial applications due to their high surface charge density, favorable …
Lipophilicity of cationic ligands promotes irreversible adsorption of nanoparticles to lipid bilayers
A mechanistic understanding of the influence of the surface properties of engineered
nanomaterials on their interactions with cells is essential for designing materials for …
nanomaterials on their interactions with cells is essential for designing materials for …