Results 121 to 130 of about 114,431,160 (255)

A Unified Whole Lung PBK Model for Inhalational Uptake of Gases and Aerosols in Men

CPT: Pharmacometrics & Systems Pharmacology
Assessing the risk or benefit of an inhaled substance is challenging due to the variety of forms it can take (gas, vapor, particle, or droplet) and the complex biological processes involved in its uptake and retention. Physiologically based kinetic (PBK)
Norman Nowak, Sylvia E. Escher, Katharina Schwarz   +2 more
doaj   +1 more source

Methods and applications of in silico aptamer design and modeling

, 2021
Aptamers are nucleic acid analogues of antibodies with high affinity to different targets, such as cells, viruses, proteins, inorganic materials, and coenzymes. Empirical approaches allow the design of in vitro aptamers that bind particularly to a target
Buglak A.A.
core  

Advanced Materials for Biologics Delivery to Brain Tumors

Advanced Materials, EarlyView.
Material innovation is central to unlocking the therapeutic potential of biologics against many central nervous system diseases, including brain cancer. By engineering carriers with controlled transport, targeting, and release properties, advanced materials can overcome the blood–brain barrier and tumor microenvironment, improving the delivery of ...
Yuran Feng, Yuxue Cao, Maria Kavallaris, Taskeen Janjua, Amirali Popat   +4 more
wiley   +1 more source

In silico modeling of targeted protein degradation

European Journal of Medicinal Chemistry
Targeted protein degradation (TPD) techniques, particularly proteolysis-targeting chimeras (PROTAC) and molecular glue degraders (MGD), have offered novel strategies in drug discovery. With rapid advancement of computer-aided drug design (CADD) and artificial intelligence-driven drug discovery (AIDD) in the biomedical field, a major focus has become ...
Wenxing Lv, Xiaojuan Jia, Bowen Tang, Chao Ma, Xiaopeng Fan, Xurui Jin, Zhangming Niu, Xin Han   +7 more
openaire   +2 more sources

Development and evaluation of pid controllers for glucose control in people with type 1 diabetes mellitus [PDF]

, 2012
The aim of this research is to develop and evaluate a novel, model-based PID control design method to achieve normo-glycemia with an artificial pancreas.
Tagliavini, Alessia
core  

Iterative Selection of DNA Nanostructures for Cellular Uptake

Advanced Materials, EarlyView.
DNA nanostructures are promising cell targeting delivery vehicles for therapeutics, but the targeting behavior is not fully understood. In this study, libraries of DNA nanostructures that can be amplified and sequenced are combined with cellular uptake as a selection pressure to iteratively refine DNA structures taken up in cells to better understand ...
Anjali Rajwar, Lisa Eichhorn, Jakub Palacka, Sandra Ly, Erik Benson   +4 more
wiley   +1 more source

How “Green” is Your Functional Material? Assessing Environmental Impacts of Multi‐Step Synthetic Protocols in Material Sciences at Various Technology Levels

Advanced Materials, EarlyView.
Environmental Synthesis Radar (ESR) evaluates the environmental impact of (early‐stage) multi‐step chemical syntheses, providing a holistic view by using 18 midpoint impact categories. Unlike conventional life‐cycle assessment (LCA) approaches, ESR reveals three complementary metrics: overall impact Vtotal, environmental hotspots VEF, and critical ...
Laura Plein, Alexander Schommer, Florian Dietrich, Moritz Gutsch, Heike Klesper, Kevin Schuller, Lars Jahnke, Jens Leker, Klaus Meerholz   +8 more
wiley   +1 more source

In silico exploration of nitrogenase in Ensifer fredii unraveling structural homology functional and phylogenetic relationships and molecular dynamics

Discover Chemistry
The nitrogenase Fe protein, central to nitrogen fixation, has been extensively studied, However, the X-ray structure of the Nase-Fe protein from Ensifer fredii is essential for understanding its function and stability, yet this structure is absent from ...
Mohamed Hnini, Karim Rabeh
doaj   +1 more source

Wavelength‐Multiplexed 2D Beam Steering via a Passive Diffractive Network

Advanced Optical Materials, EarlyView.
Illustration of a wavelength‐multiplexed diffractive beam steering system, which is composed of K cascaded diffractive layers, each containing phase‐modulating elements that are jointly optimized using deep learning–based optimization. When illuminated with a set of wavelengths {λ1,λ2,…,λNw}$\{ {{{\lambda }_1},{{\lambda }_2},\ldots ,{{\lambda }_{{{N}_w}
Che‐Yung Shen, Yuhang Li, Çağatay Işıl, Tianyi Gan, Mona Jarrahi, Aydogan Ozcan   +5 more
wiley   +1 more source

Computer Assisted Geometry Optimization for in silico [PDF]

Applied Medical Informatics, 2011
This paper aimed to present a methodology for the geometry optimization of molecules in order to analyze structure-activity/property relationships. The main objective was to reduce the probability of carrying out misleading analyses while preparing the ...
Lorentz JÄNTSCHI
doaj