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Nucleic acids such as mRNA have emerged as a promising therapeutic modality with the capability of addressing a wide range of diseases. Lipid nanoparticles (LNPs) as a delivery platform for nucleic acids were used in the COVID-19 vaccines…

Lipid nanoparticles (LNPs) are a leading platform in the delivery of RNA-based therapeutics, playing a pivotal role in the clinical success of mRNA vaccines and other nucleic acid drugs. Their performance in RNA encapsulation and delivery…

Soft Condensed Matter · Physics 2025-08-05 Xuan Bai , Yu Lu , Tianhao Yu , Kangjie Lv , Cai Yao , Feng Shi , Andong Liu , Kai Wang , Wenshou Wang , Chris Lai

Lipid nanoparticles (LNPs) are highly effective carriers for gene therapies, including mRNA and siRNA delivery, due to their ability to transport nucleic acids across biological membranes, low cytotoxicity, improved pharmacokinetics, and…

Biomolecules · Quantitative Biology 2025-06-06 Gaurav Kumar , Arezoo M. Ardekani

While RNA technologies hold immense therapeutic potential in a range of applications from vaccination to gene editing, the broad implementation of these technologies is hindered by the challenge of delivering these agents effectively. Lipid…

Biomolecules · Quantitative Biology 2023-08-30 Daisy Yi Ding , Yuhui Zhang , Yuan Jia , Jiuzhi Sun

Lipid nanoparticles (LNPs) are precisely engineered drug delivery carriers commonly produced through controlled mixing processes, such as nanoprecipitation. Since their delivery efficacy greatly depends on particle size, numerous studies…

Lipid nanoparticles (LNPs) are vital in modern biomedicine, enabling the effective delivery of mRNA for vaccines and therapies by protecting it from rapid degradation. Among the components of LNPs, ionizable lipids play a key role in RNA…

Machine Learning · Computer Science 2024-12-03 Yuxuan Ou , Jingyi Zhao , Austin Tripp , Morteza Rasoulianboroujeni , José Miguel Hernández-Lobato

Lipid nanoparticles (LNPs) are among the most clinically mature platforms for nucleic acid delivery, yet designing lipids that are both effective and biologically safe remains a major bottleneck. In practical screening, toxicity is a…

Artificial Intelligence · Computer Science 2026-05-26 Leshu Li , An Lu , Haiyu Wang , Zhibin Feng , Conghui Duan , Qing Bao , Zongmin Zhao , Sai Qian Zhang

Colorectal cancer (CRC) continues to be a significant global health burden, prompting the need for more effective and targeted therapeutic strategies. Nanoparticle-based drug delivery systems have emerged as a promising approach to address…

Other Quantitative Biology · Quantitative Biology 2024-09-10 Mahadi Hasan , Camryn Grace Evett , Jack Burton

Peptide nucleic acids (PNAs) are artificial nucleic acids with a peptide backbone instead of sugar phosphate backbone of DNA or RNA. Their resistance to degradation, selectivity and greater binding affinity in comparison to usual nucleic…

Biomolecules · Quantitative Biology 2019-10-18 Reyhane Alidousti , Mostafa Shakhsi-Niaee

Evolutionary algorithms have long been used for optimization problems where the appropriate size of solutions is unclear a priori. The applicability of this methodology is here investigated on the problem of designing a nano-particle (NP)…

Neural and Evolutionary Computing · Computer Science 2020-11-11 Michail-Antisthenis Tsompanas , Larry Bull , Andrew Adamatzky , Igor Balaz

Despite all the advances achieved in the field of tumor-biology research, in most cases conventional therapies including chemotherapy are still the leading choices. The main disadvantage of these treatments, in addition to the low…

Tissues and Organs · Quantitative Biology 2024-01-25 Paola Sanchez-Moreno , Juan Luis Ortega-Vinuesa , Jose Manuel Peula-Garcia , Juan Antonio Marchal , Houria Boulaiz

This paper proposes a mathematical approach for robust control of a nanoscale drug delivery system in treatment of atherosclerosis. First, a new nonlinear lumped model is introduced for mass transport in the arterial wall, and its accuracy…

Systems and Control · Electrical Eng. & Systems 2021-11-24 Alireza Rowhanimanesh , Mohammad-R Akbarzadeh-T

The membrane curvature of cells and intracellular compartments continuously adapts to enable cells to perform vital functions, from cell division to signal trafficking. Understanding how membrane geometry affects these processes in vivo is…

A novel concept of nano-scaled interwoven templates for drug delivery with alternating hydro- and lipophilicity properties is introduced. They are built from cellulose and peptide hydrogel in tandem, and characterized by a nano-stacked…

We present a Quality by Design (QbD) styled approach for optimizing lipid nanoparticle (LNP) formulations, aiming to offer scientists an accessible workflow. The inherent restriction in these studies, where the molar ratios of ionizable,…

Applications · Statistics 2023-11-14 Andrew T. Karl , Sean Essex , James Wisnowski , Heath Rushing

We devise an approach for targeted molecular design, a problem of interest in computational drug discovery: given a target protein site, we wish to generate a chemical with both high binding affinity to the target and satisfactory…

Artificial Intelligence · Computer Science 2018-09-07 Tristan Aumentado-Armstrong

Purpose: Spiking neural networks (SNNs) have recently gained attention as energy-efficient, biologically plausible alternatives to conventional deep learning models. Their application in high-stakes biomedical imaging remains almost…

Neural and Evolutionary Computing · Computer Science 2026-04-01 Zofia Rudnicka , Janusz Szczepanski , Agnieszka Pregowska

In the field of pharmacokinetics and pharmacodynamics (PKPD) modeling, which plays a pivotal role in the drug development process, traditional models frequently encounter difficulties in fully encapsulating the complexities of drug…

Quantitative Methods · Quantitative Biology 2024-09-23 Nazanin Ahmadi Daryakenari , Shupeng Wang , George Karniadakis

Liposomes that achieve a heterogeneous and spatially organized surface through phase separation have been recognized to be a promising platform for delivery purposes. However, their design and optimization through experimentation can be…

Soft Condensed Matter · Physics 2021-11-05 Y. Wang , Y. Palzhanov , A. Quaini , M. Olshanskii , S. Majd

In recent years, significant progress has been made in the development of machine learning potentials (MLPs) for atomistic simulations with applications in many fields from chemistry to materials science. While most current MLPs are based…

Chemical Physics · Physics 2023-05-19 Tsz Wai Ko , Jonas A. Finkler , Stefan Goedecker , Jörg Behler
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