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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 …
Computational modeling for the design and development of nano based drug delivery systems
The nanoparticle delivery system is one of the promising nanotechnology applications for
efficient drug delivery to the targeted site. However, the selection of lead excipient …
efficient drug delivery to the targeted site. However, the selection of lead excipient …
High charge density in peptide dendrimers is required to destabilize membranes: insights into endosome evasion
FEP Rodrigues, T Darbre… - Journal of chemical …, 2024 - ACS Publications
Peptide dendrimers are a type of branched, symmetric, and topologically well-defined
molecule that have already been used as delivery systems for nucleic acid transfection …
molecule that have already been used as delivery systems for nucleic acid transfection …
Computer Aided Development of Nucleic Acid Applications in Nanotechnologies
Utilization of nucleic acids (NAs) in nanotechnologies and nanotechnology‐related
applications is a growing field with broad application potential, ranging from biosensing up …
applications is a growing field with broad application potential, ranging from biosensing up …
In silico study of PEI-PEG-squalene-dsDNA polyplex formation: the delicate role of the PEG length in the binding of PEI to DNA
Biocompatible hydrophilic polyethylene glycol (PEG) is widely used in biomedical
applications, such as drug or gene delivery, tissue engineering or as an antifouling …
applications, such as drug or gene delivery, tissue engineering or as an antifouling …
[HTML][HTML] Dendrimer-based nanocomposites for the production of RNA delivery systems
CC Lim, LY Chia, PV Kumar - OpenNano, 2023 - Elsevier
A novel approach to treating cancer has been revealed to be effective cancer vaccination. It
has also been demonstrated that nucleic acid therapies such as mRNA and siRNA are very …
has also been demonstrated that nucleic acid therapies such as mRNA and siRNA are very …
Core-size and geometry versus toxicity in small amino terminated PAMAM dendrimers
CB Hansen, A Janaszewska, M Dąbrzalska… - RSC …, 2024 - pubs.rsc.org
A series of 6 small PAMAM dendrimers (G0-dendrimers) differing in the size, polarity and
flexibility has been synthesized. The toxicity has been investigated in three different human …
flexibility has been synthesized. The toxicity has been investigated in three different human …
[HTML][HTML] Influence of dexamethasone on the interaction between glucocorticoid receptor and SOX9: A molecular dynamics study
The glucocorticoid receptor (GR) is a nuclear receptor that controls critical biological
processes by regulating the transcription of specific genes. GR transcriptional activity is …
processes by regulating the transcription of specific genes. GR transcriptional activity is …
[HTML][HTML] Characterization of the Interaction of Polymeric Micelles with siRNA: A Combined Experimental and Molecular Dynamics Study
The simulation of large molecular systems remains a daunting challenge, which justifies the
exploration of novel methodologies to keep computers as an ideal companion tool for …
exploration of novel methodologies to keep computers as an ideal companion tool for …
[HTML][HTML] Coarse-grained models of RNA nanotubes for large time scale studies in biomedical applications
In order to describe the physical properties of large time scale biological systems, coarse-
grained models play an increasingly important role. In this paper we develop Coarse …
grained models play an increasingly important role. In this paper we develop Coarse …